N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine

C15H21ClN4 — CID 43671120

IUPACN-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnn(-c2ccc(Cl)cc2C)c1C
InChIInChI=1S/C15H21ClN4/c1-5-8-17-11(3)15-12(4)20(19-18-15)14-7-6-13(16)9-10(14)2/h6-7,9,11,17H,5,8H2,1-4H3
InChIKeyIAMCPUXYSAAUAU-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.60
Rot. Bonds5

About N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine

N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine (PubChem CID 43671120) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
PubChem CID43671120
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnn(-c2ccc(Cl)cc2C)c1C
InChIInChI=1S/C15H21ClN4/c1-5-8-17-11(3)15-12(4)20(19-18-15)14-7-6-13(16)9-10(14)2/h6-7,9,11,17H,5,8H2,1-4H3
InChIKeyIAMCPUXYSAAUAU-UHFFFAOYSA-N
XLogP3.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 43671119
N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671334
N-[1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671189
N-[1-[1-(2,6-difluoro-3-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 82802534
N-[1-[1-(2,3-dimethylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671182
1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671154
1-[1-(4-bromo-2,3-dichlorophenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 107792886
N-[1-[1-(1,3-dimethylpyrazol-4-yl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 102806980
1-[1-(5-bromo-2-fluorophenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 43671415
1-[1-(2-bromo-5-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 104725036
[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]methanamine
CID 82195240
4-[5-methyl-4-[1-(propylamino)ethyl]triazol-1-yl]benzonitrile
CID 43671116

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine (CID 43671120) is N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1nnn(-c2ccc(Cl)cc2C)c1C.
What is the InChIKey of N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine?
The InChIKey is IAMCPUXYSAAUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-5-8-17-11(3)15-12(4)20(19-18-15)14-7-6-13(16)9-10(14)2/h6-7,9,11,17H,5,8H2,1-4H3.
What are the key properties of N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 43671120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).