2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine

C15H16Cl2N2 — CID 69145699

IUPAC2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine
SMILESCC(c1ccc(Cl)cn1)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-10(15-6-5-13(17)9-19-15)14(8-18)11-3-2-4-12(16)7-11/h2-7,9-10,14H,8,18H2,1H3
InChIKeyCVLYVWXMCZBGBB-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.23
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine

2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine (PubChem CID 69145699) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine
PubChem CID69145699
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine
SMILESCC(c1ccc(Cl)cn1)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-10(15-6-5-13(17)9-19-15)14(8-18)11-3-2-4-12(16)7-11/h2-7,9-10,14H,8,18H2,1H3
InChIKeyCVLYVWXMCZBGBB-UHFFFAOYSA-N
XLogP4.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251601
methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate
CID 129153597
(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid
CID 175121808
N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 69145260
3-(3-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105453999
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
[(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105251622
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
CID 75524979

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine (CID 69145699) is 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine is CC(c1ccc(Cl)cn1)C(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine?
The InChIKey is CVLYVWXMCZBGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10(15-6-5-13(17)9-19-15)14(8-18)11-3-2-4-12(16)7-11/h2-7,9-10,14H,8,18H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine?
2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine has a molecular weight of 295.21 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine is sourced from PubChem (CID 69145699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).