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

C13H21ClN2 — CID 105146058

IUPAC1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccncc1Cl)C(C)(C)C
InChIInChI=1S/C13H21ClN2/c1-5-7-16-12(13(2,3)4)10-6-8-15-9-11(10)14/h6,8-9,12,16H,5,7H2,1-4H3
InChIKeyIPDUFUZVHLDRHV-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.82
Rot. Bonds4

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

1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 105146058) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID105146058
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccncc1Cl)C(C)(C)C
InChIInChI=1S/C13H21ClN2/c1-5-7-16-12(13(2,3)4)10-6-8-15-9-11(10)14/h6,8-9,12,16H,5,7H2,1-4H3
InChIKeyIPDUFUZVHLDRHV-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine
CID 105146074
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
CID 105157249
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
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-[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-[(4-chloro-2-fluorophenyl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105173716
N-[(3-chloro-4-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 105175887
N-[(4-bromothiophen-3-yl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105166826

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine (CID 105146058) is 1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1ccncc1Cl)C(C)(C)C.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is IPDUFUZVHLDRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-5-7-16-12(13(2,3)4)10-6-8-15-9-11(10)14/h6,8-9,12,16H,5,7H2,1-4H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 240.78 g/mol, XLogP of 3.82, 4 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)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 105146058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).