1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine

C19H23NO — CID 115970933

IUPAC1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(C(NCC2CC2C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-14-12-17(14)13-20-19(15-6-4-3-5-7-15)16-8-10-18(21-2)11-9-16/h3-11,14,17,19-20H,12-13H2,1-2H3
InChIKeyJXFWSVGHCRKWDO-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine

1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine (PubChem CID 115970933) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine
PubChem CID115970933
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(C(NCC2CC2C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-14-12-17(14)13-20-19(15-6-4-3-5-7-15)16-8-10-18(21-2)11-9-16/h3-11,14,17,19-20H,12-13H2,1-2H3
InChIKeyJXFWSVGHCRKWDO-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43403754
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol
CID 110010974
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
N-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
(1S,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27000371
(1R,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 124714365
3-[(3,3-diphenylpropylamino)-(4-methoxyphenyl)methyl]aniline
CID 18347065
6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine
CID 118579652

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine (CID 115970933) is 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine is COc1ccc(C(NCC2CC2C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine?
The InChIKey is JXFWSVGHCRKWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-12-17(14)13-20-19(15-6-4-3-5-7-15)16-8-10-18(21-2)11-9-16/h3-11,14,17,19-20H,12-13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine?
1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 115970933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).