(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine

C17H20N2 — CID 81406216

IUPAC(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NC(c1ccccc1)C1CC1)c1ccncc1
InChIInChI=1S/C17H20N2/c1-13(14-9-11-18-12-10-14)19-17(16-7-8-16)15-5-3-2-4-6-15/h2-6,9-13,16-17,19H,7-8H2,1H3/t13-,17?/m1/s1
InChIKeyMOKDFIUFGCAUJV-FWJOYPJLSA-N
MW252.36 g/mol
LogP3.88
Rot. Bonds5

About (1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81406216) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81406216
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NC(c1ccccc1)C1CC1)c1ccncc1
InChIInChI=1S/C17H20N2/c1-13(14-9-11-18-12-10-14)19-17(16-7-8-16)15-5-3-2-4-6-15/h2-6,9-13,16-17,19H,7-8H2,1H3/t13-,17?/m1/s1
InChIKeyMOKDFIUFGCAUJV-FWJOYPJLSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
CID 62091573
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
N-[cyclopropyl(phenyl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117763
N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63993444
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine (CID 81406216) is (1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine is C[C@@H](NC(c1ccccc1)C1CC1)c1ccncc1.
What is the InChIKey of (1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is MOKDFIUFGCAUJV-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H20N2/c1-13(14-9-11-18-12-10-14)19-17(16-7-8-16)15-5-3-2-4-6-15/h2-6,9-13,16-17,19H,7-8H2,1H3/t13-,17?/m1/s1.
What are the key properties of (1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.88, 5 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-pyridin-4-ylethanamine is sourced from PubChem (CID 81406216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).