3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine

C15H17ClN2 — CID 104845244

IUPAC3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(Cc1ccncc1Cl)C(N)c1ccccc1
InChIInChI=1S/C15H17ClN2/c1-11(9-13-7-8-18-10-14(13)16)15(17)12-5-3-2-4-6-12/h2-8,10-11,15H,9,17H2,1H3
InChIKeyDLOYQIAAVOKJOJ-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.61
Rot. Bonds4

About 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine

3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 104845244) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine
PubChem CID104845244
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(Cc1ccncc1Cl)C(N)c1ccccc1
InChIInChI=1S/C15H17ClN2/c1-11(9-13-7-8-18-10-14(13)16)15(17)12-5-3-2-4-6-12/h2-8,10-11,15H,9,17H2,1H3
InChIKeyDLOYQIAAVOKJOJ-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-ol
CID 113460152
2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115984821
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
CID 112655522
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516735
3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 103038667
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105157346
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157425

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine (CID 104845244) is 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine is CC(Cc1ccncc1Cl)C(N)c1ccccc1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is DLOYQIAAVOKJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11(9-13-7-8-18-10-14(13)16)15(17)12-5-3-2-4-6-12/h2-8,10-11,15H,9,17H2,1H3.
What are the key properties of 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine?
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 260.77 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 104845244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).