N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine

C18H23NO2 — CID 783617

IUPACN-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-19(13-15-8-6-5-7-9-15)14-16-10-17(20-2)12-18(11-16)21-3/h5-12H,4,13-14H2,1-3H3
InChIKeyBSQNOQLVXXULDR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds7

About N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine

N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine (PubChem CID 783617) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
PubChem CID783617
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-19(13-15-8-6-5-7-9-15)14-16-10-17(20-2)12-18(11-16)21-3/h5-12H,4,13-14H2,1-3H3
InChIKeyBSQNOQLVXXULDR-UHFFFAOYSA-N
XLogP3.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548926
3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
CID 1340180
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline
CID 81146090
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001
N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 783447
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine (CID 783617) is N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1cc(OC)cc(OC)c1.
What is the InChIKey of N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is BSQNOQLVXXULDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-19(13-15-8-6-5-7-9-15)14-16-10-17(20-2)12-18(11-16)21-3/h5-12H,4,13-14H2,1-3H3.
What are the key properties of N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 783617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).