2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline

C33H42N2 — CID 174195295

IUPAC2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline
SMILESC=Cc1ccc2c(c1)CC[C@@H](c1ccc(CC)cc1N(CC)Cc1ccc(CCNCC)cc1)C2
InChIInChI=1S/C33H42N2/c1-5-25-13-15-30-23-31(17-16-29(30)21-25)32-18-14-26(6-2)22-33(32)35(8-4)24-28-11-9-27(10-12-28)19-20-34-7-3/h5,9-15,18,21-22,31,34H,1,6-8,16-17,19-20,23-24H2,2-4H3/t31-/m1/s1
InChIKeyRDLIVYMQWDFZKI-WJOKGBTCSA-N
MW466.71 g/mol
LogP7.34
Rot. Bonds11

About 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline

2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline (PubChem CID 174195295) has the molecular formula C33H42N2 and a molecular weight of 466.71 g/mol. Its IUPAC name is 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline
PubChem CID174195295
Molecular FormulaC33H42N2
Molecular Weight466.71 g/mol
Exact Mass466.33
IUPAC Name2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline
SMILESC=Cc1ccc2c(c1)CC[C@@H](c1ccc(CC)cc1N(CC)Cc1ccc(CCNCC)cc1)C2
InChIInChI=1S/C33H42N2/c1-5-25-13-15-30-23-31(17-16-29(30)21-25)32-18-14-26(6-2)22-33(32)35(8-4)24-28-11-9-27(10-12-28)19-20-34-7-3/h5,9-15,18,21-22,31,34H,1,6-8,16-17,19-20,23-24H2,2-4H3/t31-/m1/s1
InChIKeyRDLIVYMQWDFZKI-WJOKGBTCSA-N
XLogP7.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
CID 177365047
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
6-[2-[ethyl-[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 174206119
6-[2-[ethyl-[[4-[2-(methylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66627844
6-[2-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626862
6-[2-[ethyl-[[4-[2-(3-methylbutylamino)ethyl]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66627966
(6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626933
6-[2-[[4-[2-(butan-2-ylamino)ethyl]phenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66627810
(6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58035839
6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 76651701
(6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58035862
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline?
The IUPAC name of 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline (CID 174195295) is 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline.
What is the SMILES notation for 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline?
The canonical SMILES for 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline is C=Cc1ccc2c(c1)CC[C@@H](c1ccc(CC)cc1N(CC)Cc1ccc(CCNCC)cc1)C2.
What is the InChIKey of 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline?
The InChIKey is RDLIVYMQWDFZKI-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H42N2/c1-5-25-13-15-30-23-31(17-16-29(30)21-25)32-18-14-26(6-2)22-33(32)35(8-4)24-28-11-9-27(10-12-28)19-20-34-7-3/h5,9-15,18,21-22,31,34H,1,6-8,16-17,19-20,23-24H2,2-4H3/t31-/m1/s1.
What are the key properties of 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline?
2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline has a molecular weight of 466.71 g/mol, XLogP of 7.34, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline is sourced from PubChem (CID 174195295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).