2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine

C15H21ClN4 — CID 107053398

IUPAC2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cn(C)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN4/c1-3-8-17-10-13(9-15-11-20(2)19-18-15)12-4-6-14(16)7-5-12/h4-7,11,13,17H,3,8-10H2,1-2H3
InChIKeyIYHZOSXZWJAZCV-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.79
Rot. Bonds7

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

2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine (PubChem CID 107053398) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
PubChem CID107053398
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cn(C)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN4/c1-3-8-17-10-13(9-15-11-20(2)19-18-15)12-4-6-14(16)7-5-12/h4-7,11,13,17H,3,8-10H2,1-2H3
InChIKeyIYHZOSXZWJAZCV-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053400
2-(2-bromophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053492
4-(1-methyltriazol-4-yl)-2-phenyl-N-propylbutan-1-amine
CID 107059234
2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437
2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
CID 107052901
2-[(4-chlorophenyl)methyl]-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052956
2-benzyl-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052862
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053484
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 79432118
2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79438121
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79432117

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine (CID 107053398) is 2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine is CCCNCC(Cc1cn(C)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is IYHZOSXZWJAZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-3-8-17-10-13(9-15-11-20(2)19-18-15)12-4-6-14(16)7-5-12/h4-7,11,13,17H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine?
2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 107053398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).