1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine

C12H19ClN2 — CID 105078256

IUPAC1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccncc1Cl)C(C)C
InChIInChI=1S/C12H19ClN2/c1-4-6-15-12(9(2)3)10-5-7-14-8-11(10)13/h5,7-9,12,15H,4,6H2,1-3H3
InChIKeyXQKOGYUMIXTFMA-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.43
Rot. Bonds5

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

1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 105078256) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
PubChem CID105078256
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccncc1Cl)C(C)C
InChIInChI=1S/C12H19ClN2/c1-4-6-15-12(9(2)3)10-5-7-14-8-11(10)13/h5,7-9,12,15H,4,6H2,1-3H3
InChIKeyXQKOGYUMIXTFMA-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094789
N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
CID 105157249
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
N-[(4-chloro-2-fluorophenyl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105173716
N-[(4-bromothiophen-3-yl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105166826
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
N-[(3-chloro-4-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 105149426
N-[(3-chloro-4-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 105175887
2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine
CID 107896816

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine (CID 105078256) is 1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccncc1Cl)C(C)C.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is XQKOGYUMIXTFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-6-15-12(9(2)3)10-5-7-14-8-11(10)13/h5,7-9,12,15H,4,6H2,1-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine?
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 226.75 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 105078256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).