1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine

C16H20N2 — CID 81407650

IUPAC1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
SMILESCC(Cc1ccccc1)N[C@H](C)c1cccnc1
InChIInChI=1S/C16H20N2/c1-13(11-15-7-4-3-5-8-15)18-14(2)16-9-6-10-17-12-16/h3-10,12-14,18H,11H2,1-2H3/t13?,14-/m1/s1
InChIKeyVFMXLSIYJYYGMQ-ARLHGKGLSA-N
MW240.35 g/mol
LogP3.36
Rot. Bonds5

About 1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine

1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine (PubChem CID 81407650) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
PubChem CID81407650
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
SMILESCC(Cc1ccccc1)N[C@H](C)c1cccnc1
InChIInChI=1S/C16H20N2/c1-13(11-15-7-4-3-5-8-15)18-14(2)16-9-6-10-17-12-16/h3-10,12-14,18H,11H2,1-2H3/t13?,14-/m1/s1
InChIKeyVFMXLSIYJYYGMQ-ARLHGKGLSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
CID 79007375
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81405088
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine?
The IUPAC name of 1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine (CID 81407650) is 1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine.
What is the SMILES notation for 1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine?
The canonical SMILES for 1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine is CC(Cc1ccccc1)N[C@H](C)c1cccnc1.
What is the InChIKey of 1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine?
The InChIKey is VFMXLSIYJYYGMQ-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(11-15-7-4-3-5-8-15)18-14(2)16-9-6-10-17-12-16/h3-10,12-14,18H,11H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of 1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine?
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.36, 5 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-3-ylethyl]propan-2-amine is sourced from PubChem (CID 81407650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).