(1S)-2-phenyl-1-pyridin-3-ylethanamine

C13H14N2 — CID 93312491

IUPAC(1S)-2-phenyl-1-pyridin-3-ylethanamine
SMILESN[C@@H](Cc1ccccc1)c1cccnc1
InChIInChI=1S/C13H14N2/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h1-8,10,13H,9,14H2/t13-/m0/s1
InChIKeyXZAJERQRTFFKNB-ZDUSSCGKSA-N
MW198.27 g/mol
LogP2.32
Rot. Bonds3

About (1S)-2-phenyl-1-pyridin-3-ylethanamine

(1S)-2-phenyl-1-pyridin-3-ylethanamine (PubChem CID 93312491) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (1S)-2-phenyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-2-phenyl-1-pyridin-3-ylethanamine
PubChem CID93312491
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name(1S)-2-phenyl-1-pyridin-3-ylethanamine
SMILESN[C@@H](Cc1ccccc1)c1cccnc1
InChIInChI=1S/C13H14N2/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h1-8,10,13H,9,14H2/t13-/m0/s1
InChIKeyXZAJERQRTFFKNB-ZDUSSCGKSA-N
XLogP2.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanamine
CID 93422741
4-phenyl-2-pyridin-3-ylbutane-1,3-diamine
CID 20848340
2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine
CID 54959804
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-2-phenyl-1-pyridin-3-ylethanamine (CID 93312491) is (1S)-2-phenyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-2-phenyl-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-2-phenyl-1-pyridin-3-ylethanamine is N[C@@H](Cc1ccccc1)c1cccnc1.
What is the InChIKey of (1S)-2-phenyl-1-pyridin-3-ylethanamine?
The InChIKey is XZAJERQRTFFKNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14N2/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h1-8,10,13H,9,14H2/t13-/m0/s1.
What are the key properties of (1S)-2-phenyl-1-pyridin-3-ylethanamine?
(1S)-2-phenyl-1-pyridin-3-ylethanamine has a molecular weight of 198.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 93312491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).