N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine

C21H23NO2 — CID 27271164

IUPACN-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C21H23NO2/c1-23-18-10-7-16(8-11-18)13-14-22-15-17-9-12-21(24-2)20-6-4-3-5-19(17)20/h3-12,22H,13-15H2,1-2H3
InChIKeySNBZXHDTILHVJS-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.19
Rot. Bonds7

About N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine

N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 27271164) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID27271164
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C21H23NO2/c1-23-18-10-7-16(8-11-18)13-14-22-15-17-9-12-21(24-2)20-6-4-3-5-19(17)20/h3-12,22H,13-15H2,1-2H3
InChIKeySNBZXHDTILHVJS-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Agomelatine
CID 82148
3,4-Dimethoxy-N,N-dimethyl-1-phenanthreneethanamine
CID 96918
6-Methoxy-1,2,3,4-tetrahydroisoquinoline
CID 39356
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
(Hydroxymethylphenyl)agomelatine
CID 9798456
8-Methoxy-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 44352179
N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine
CID 781301
2-Propanol, 1-benzylamino-3-(naphthyloxy)-
CID 205773
Isoquinoline, 1,2,3,4-tetrahydro-8-(3-methoxyphenyl)-, hydrochloride
CID 3057767
Isoquinoline, 1,2,3,4-tetrahydro-8-(2-methoxyphenyl)-2-(phenylmethyl)-, hydrochloride
CID 3057789
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine (CID 27271164) is N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCc2ccc(OC)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is SNBZXHDTILHVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-23-18-10-7-16(8-11-18)13-14-22-15-17-9-12-21(24-2)20-6-4-3-5-19(17)20/h3-12,22H,13-15H2,1-2H3.
What are the key properties of N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 321.42 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 27271164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).