N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine

C30H37NO — CID 139336500

IUPACN-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine
SMILESCCNCCc1ccc([C@@H]2c3ccc(OC)cc3CC[C@@H]2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C30H37NO/c1-5-31-19-18-22-6-8-25(9-7-22)30-28(24-12-10-23(11-13-24)21(2)3)16-14-26-20-27(32-4)15-17-29(26)30/h6-13,15,17,20-21,28,30-31H,5,14,16,18-19H2,1-4H3/t28-,30+/m1/s1
InChIKeyKXVPIBSWTRSPCY-DGPALRBDSA-N
MW427.63 g/mol
LogP6.83
Rot. Bonds8

About N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine

N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine (PubChem CID 139336500) has the molecular formula C30H37NO and a molecular weight of 427.63 g/mol. Its IUPAC name is N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine
PubChem CID139336500
Molecular FormulaC30H37NO
Molecular Weight427.63 g/mol
Exact Mass427.29
IUPAC NameN-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine
SMILESCCNCCc1ccc([C@@H]2c3ccc(OC)cc3CC[C@@H]2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C30H37NO/c1-5-31-19-18-22-6-8-25(9-7-22)30-28(24-12-10-23(11-13-24)21(2)3)16-14-26-20-27(32-4)15-17-29(26)30/h6-13,15,17,20-21,28,30-31H,5,14,16,18-19H2,1-4H3/t28-,30+/m1/s1
InChIKeyKXVPIBSWTRSPCY-DGPALRBDSA-N
XLogP6.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139330653
(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139330652
acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 167581778
2-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylethanamine
CID 83985302
(E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide
CID 70149469
1-[2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidine
CID 12018054
6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 88671274
2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol
CID 70448004
(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482572
N,N-diethyl-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide
CID 70149506
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-5-methoxy-2-[(2S)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]aniline
CID 158340618
1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine
CID 83985301

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine (CID 139336500) is N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine is CCNCCc1ccc([C@@H]2c3ccc(OC)cc3CC[C@@H]2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine?
The InChIKey is KXVPIBSWTRSPCY-DGPALRBDSA-N. The full InChI is InChI=1S/C30H37NO/c1-5-31-19-18-22-6-8-25(9-7-22)30-28(24-12-10-23(11-13-24)21(2)3)16-14-26-20-27(32-4)15-17-29(26)30/h6-13,15,17,20-21,28,30-31H,5,14,16,18-19H2,1-4H3/t28-,30+/m1/s1.
What are the key properties of N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine?
N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine has a molecular weight of 427.63 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine is sourced from PubChem (CID 139336500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).