1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine

C15H17ClN2 — CID 170889254

IUPAC1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2/c1-2-13(17)10-14-4-3-5-15(18-14)11-6-8-12(16)9-7-11/h3-9,13H,2,10,17H2,1H3
InChIKeyOFFXODVWNHACOS-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.68
Rot. Bonds4

About 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine

1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine (PubChem CID 170889254) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine
PubChem CID170889254
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2/c1-2-13(17)10-14-4-3-5-15(18-14)11-6-8-12(16)9-7-11/h3-9,13H,2,10,17H2,1H3
InChIKeyOFFXODVWNHACOS-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[6-(4-chlorophenyl)-2-pyridinyl]propan-1-ol
CID 170893413
1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine
CID 170889290
2-[6-(4-chlorophenyl)-2-pyridinyl]ethanamine
CID 83713592
2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one
CID 82167988
1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889160
1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine
CID 62744527
[2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride
CID 117071690
1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine
CID 63987310
3-[6-(4-methoxyphenyl)-2-pyridinyl]propan-1-amine
CID 170878546
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202025
1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine
CID 106850249
1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 115568456

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine (CID 170889254) is 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine is CCC(N)Cc1cccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine?
The InChIKey is OFFXODVWNHACOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-2-13(17)10-14-4-3-5-15(18-14)11-6-8-12(16)9-7-11/h3-9,13H,2,10,17H2,1H3.
What are the key properties of 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine?
1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine has a molecular weight of 260.77 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 170889254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).