(2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine

C16H19ClN2 — CID 167169123

IUPAC(2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine
SMILESCc1ccc(Cl)cc1C[C@@H](CN)c1ncccc1C
InChIInChI=1S/C16H19ClN2/c1-11-5-6-15(17)9-13(11)8-14(10-18)16-12(2)4-3-7-19-16/h3-7,9,14H,8,10,18H2,1-2H3/t14-/m0/s1
InChIKeyUAVTVLNXESZTFN-AWEZNQCLSA-N
MW274.80 g/mol
LogP3.64
Rot. Bonds4

About (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine

(2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine (PubChem CID 167169123) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine
PubChem CID167169123
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name(2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine
SMILESCc1ccc(Cl)cc1C[C@@H](CN)c1ncccc1C
InChIInChI=1S/C16H19ClN2/c1-11-5-6-15(17)9-13(11)8-14(10-18)16-12(2)4-3-7-19-16/h3-7,9,14H,8,10,18H2,1-2H3/t14-/m0/s1
InChIKeyUAVTVLNXESZTFN-AWEZNQCLSA-N
XLogP3.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine?
The IUPAC name of (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine (CID 167169123) is (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine is Cc1ccc(Cl)cc1C[C@@H](CN)c1ncccc1C.
What is the InChIKey of (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine?
The InChIKey is UAVTVLNXESZTFN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-5-6-15(17)9-13(11)8-14(10-18)16-12(2)4-3-7-19-16/h3-7,9,14H,8,10,18H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine?
(2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine has a molecular weight of 274.80 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 167169123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).