N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine

C17H21NO — CID 70971804

IUPACN-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1cccc(OC)c1
InChIInChI=1S/C17H21NO/c1-3-18(13-15-8-5-4-6-9-15)14-16-10-7-11-17(12-16)19-2/h4-12H,3,13-14H2,1-2H3
InChIKeyBFCIYQRLQPDFFM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.72
Rot. Bonds6

About N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine

N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 70971804) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID70971804
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1cccc(OC)c1
InChIInChI=1S/C17H21NO/c1-3-18(13-15-8-5-4-6-9-15)14-16-10-7-11-17(12-16)19-2/h4-12H,3,13-14H2,1-2H3
InChIKeyBFCIYQRLQPDFFM-UHFFFAOYSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N-(2-bromoethyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 80679564
1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine
CID 70842745
N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine (CID 70971804) is N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1cccc(OC)c1.
What is the InChIKey of N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is BFCIYQRLQPDFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-18(13-15-8-5-4-6-9-15)14-16-10-7-11-17(12-16)19-2/h4-12H,3,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine?
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 70971804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).