1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine

C12H15ClN4 — CID 107048388

IUPAC1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C12H15ClN4/c1-17-8-12(15-16-17)7-11(14)6-9-3-2-4-10(13)5-9/h2-5,8,11H,6-7,14H2,1H3
InChIKeyLZVLOWBBJFYQGW-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.58
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine

1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine (PubChem CID 107048388) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
PubChem CID107048388
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C12H15ClN4/c1-17-8-12(15-16-17)7-11(14)6-9-3-2-4-10(13)5-9/h2-5,8,11H,6-7,14H2,1H3
InChIKeyLZVLOWBBJFYQGW-UHFFFAOYSA-N
XLogP1.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
1-(3-methylphenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107049671
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052825
1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063926
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053433
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048839

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine (CID 107048388) is 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine is Cn1cc(CC(N)Cc2cccc(Cl)c2)nn1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine?
The InChIKey is LZVLOWBBJFYQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-17-8-12(15-16-17)7-11(14)6-9-3-2-4-10(13)5-9/h2-5,8,11H,6-7,14H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine?
1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine has a molecular weight of 250.73 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 107048388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).