(2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine

C16H19ClN2 — CID 70830206

IUPAC(2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine
SMILESCC[C@H](N)[C@@H](Cc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H19ClN2/c1-2-16(18)15(12-6-4-3-5-7-12)10-14-9-8-13(17)11-19-14/h3-9,11,15-16H,2,10,18H2,1H3/t15-,16-/m0/s1
InChIKeyPFMWSNOJQFREGN-HOTGVXAUSA-N
MW274.80 g/mol
LogP3.80
Rot. Bonds5

About (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine

(2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine (PubChem CID 70830206) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine.

Molecular Properties

Compound Name(2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine
PubChem CID70830206
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name(2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine
SMILESCC[C@H](N)[C@@H](Cc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H19ClN2/c1-2-16(18)15(12-6-4-3-5-7-12)10-14-9-8-13(17)11-19-14/h3-9,11,15-16H,2,10,18H2,1H3/t15-,16-/m0/s1
InChIKeyPFMWSNOJQFREGN-HOTGVXAUSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,3S)-3-azido-2-phenylbutyl]-5-chloropyridine
CID 23404703
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199678
2-phenylpentane-1,3-diamine
CID 57298875
3-phenyl-1-pyridin-2-ylpentan-2-amine
CID 104995303
2-(2-bromo-3-methylbutyl)-5-chloropyridine
CID 63204010
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
1-methoxy-2-phenylpentan-3-amine
CID 103466357
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
CID 130863797
2-(5-chloro-2-pyridinyl)-1-cyclopropylethanamine
CID 63352704
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489
1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
CID 115843392

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine?
The IUPAC name of (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine (CID 70830206) is (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine.
What is the SMILES notation for (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine?
The canonical SMILES for (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine is CC[C@H](N)[C@@H](Cc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine?
The InChIKey is PFMWSNOJQFREGN-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-16(18)15(12-6-4-3-5-7-12)10-14-9-8-13(17)11-19-14/h3-9,11,15-16H,2,10,18H2,1H3/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine?
(2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine has a molecular weight of 274.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine is sourced from PubChem (CID 70830206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).