(3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine

C15H16Cl2N2 — CID 118689235

IUPAC(3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine
SMILESNCC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c16-14-4-3-12(9-15(14)17)13(5-6-18)8-11-2-1-7-19-10-11/h1-4,7,9-10,13H,5-6,8,18H2/t13-/m0/s1
InChIKeyKMXJPJDMNAOVBR-ZDUSSCGKSA-N
MW295.21 g/mol
LogP4.06
Rot. Bonds5

About (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine

(3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine (PubChem CID 118689235) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name(3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine
PubChem CID118689235
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name(3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine
SMILESNCC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c16-14-4-3-12(9-15(14)17)13(5-6-18)8-11-2-1-7-19-10-11/h1-4,7,9-10,13H,5-6,8,18H2/t13-/m0/s1
InChIKeyKMXJPJDMNAOVBR-ZDUSSCGKSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972735
1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105076807
[1-(4-bromo-3-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333727
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
(3R)-4-amino-3-[4-chloro-3-(pyridin-3-ylmethylamino)phenyl]butanoic acid
CID 66724823
[1-(2,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105200159
[1-(2,5-dichlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105309892

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine?
The IUPAC name of (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine (CID 118689235) is (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine?
The canonical SMILES for (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine is NCC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine?
The InChIKey is KMXJPJDMNAOVBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c16-14-4-3-12(9-15(14)17)13(5-6-18)8-11-2-1-7-19-10-11/h1-4,7,9-10,13H,5-6,8,18H2/t13-/m0/s1.
What are the key properties of (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine?
(3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine has a molecular weight of 295.21 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 118689235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).