(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine

C19H23NO — CID 81381917

IUPAC(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H23NO/c1-14(17-9-6-10-18(13-17)21-2)20-19(16-11-12-16)15-7-4-3-5-8-15/h3-10,13-14,16,19-20H,11-12H2,1-2H3/t14-,19?/m1/s1
InChIKeyIYGCOJLGQCTIKY-MJTSIZKDSA-N
MW281.40 g/mol
LogP4.50
Rot. Bonds6

About (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 81381917) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID81381917
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H23NO/c1-14(17-9-6-10-18(13-17)21-2)20-19(16-11-12-16)15-7-4-3-5-8-15/h3-10,13-14,16,19-20H,11-12H2,1-2H3/t14-,19?/m1/s1
InChIKeyIYGCOJLGQCTIKY-MJTSIZKDSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
[(3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232508
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694688
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
[(3-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191732

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 81381917) is (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NC(c2ccccc2)C2CC2)c1.
What is the InChIKey of (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is IYGCOJLGQCTIKY-MJTSIZKDSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(17-9-6-10-18(13-17)21-2)20-19(16-11-12-16)15-7-4-3-5-8-15/h3-10,13-14,16,19-20H,11-12H2,1-2H3/t14-,19?/m1/s1.
What are the key properties of (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81381917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).