N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene

C30H39NO2 — CID 23000641

IUPACN-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCON(CC)CC.COc1ccc(C(c2ccccc2)c2cccc3c2CCCC3)cc1
InChIInChI=1S/C24H24O.C6H15NO/c1-25-21-16-14-20(15-17-21)24(19-9-3-2-4-10-19)23-13-7-11-18-8-5-6-12-22(18)23;1-4-7(5-2)8-6-3/h2-4,7,9-11,13-17,24H,5-6,8,12H2,1H3;4-6H2,1-3H3
InChIKeyIUVWNWRTPUOEFF-UHFFFAOYSA-N
MW445.65 g/mol
LogP7.03
Rot. Bonds8

About N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene

N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 23000641) has the molecular formula C30H39NO2 and a molecular weight of 445.65 g/mol. Its IUPAC name is N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound NameN-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID23000641
Molecular FormulaC30H39NO2
Molecular Weight445.65 g/mol
Exact Mass445.30
IUPAC NameN-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCON(CC)CC.COc1ccc(C(c2ccccc2)c2cccc3c2CCCC3)cc1
InChIInChI=1S/C24H24O.C6H15NO/c1-25-21-16-14-20(15-17-21)24(19-9-3-2-4-10-19)23-13-7-11-18-8-5-6-12-22(18)23;1-4-7(5-2)8-6-3/h2-4,7,9-11,13-17,24H,5-6,8,12H2,1H3;4-6H2,1-3H3
InChIKeyIUVWNWRTPUOEFF-UHFFFAOYSA-N
XLogP7.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[1-[4-[(4-methoxyphenyl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]phenoxy]ethyl]pyrrolidine
CID 23000654
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
4-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 147099645
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207
1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 82304855
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
N,N-diethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 71344847
1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine
CID 20561189

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene (CID 23000641) is N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene is CCON(CC)CC.COc1ccc(C(c2ccccc2)c2cccc3c2CCCC3)cc1.
What is the InChIKey of N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is IUVWNWRTPUOEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O.C6H15NO/c1-25-21-16-14-20(15-17-21)24(19-9-3-2-4-10-19)23-13-7-11-18-8-5-6-12-22(18)23;1-4-7(5-2)8-6-3/h2-4,7,9-11,13-17,24H,5-6,8,12H2,1H3;4-6H2,1-3H3.
What are the key properties of N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene?
N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 445.65 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-ethylethanamine;5-[(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 23000641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).