1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine

C15H18N2 — CID 81405685

IUPAC1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1ccncc1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12(14-6-4-3-5-7-14)17-13(2)15-8-10-16-11-9-15/h3-13,17H,1-2H3/t12?,13-/m1/s1
InChIKeyVOBADFCFYYGHID-ZGTCLIOFSA-N
MW226.32 g/mol
LogP3.49
Rot. Bonds4

About 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine

1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine (PubChem CID 81405685) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine.

Molecular Properties

Compound Name1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
PubChem CID81405685
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1ccncc1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12(14-6-4-3-5-7-14)17-13(2)15-8-10-16-11-9-15/h3-13,17H,1-2H3/t12?,13-/m1/s1
InChIKeyVOBADFCFYYGHID-ZGTCLIOFSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81380816
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine?
The IUPAC name of 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine (CID 81405685) is 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine.
What is the SMILES notation for 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine?
The canonical SMILES for 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine is CC(N[C@H](C)c1ccncc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine?
The InChIKey is VOBADFCFYYGHID-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H18N2/c1-12(14-6-4-3-5-7-14)17-13(2)15-8-10-16-11-9-15/h3-13,17H,1-2H3/t12?,13-/m1/s1.
What are the key properties of 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine?
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine has a molecular weight of 226.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine is sourced from PubChem (CID 81405685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).