2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine

C16H17ClN4 — CID 22270396

IUPAC2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C16H17ClN4/c1-18-11-14(10-12-6-8-13(17)9-7-12)21-16-5-3-2-4-15(16)19-20-21/h2-9,14,18H,10-11H2,1H3
InChIKeyLRSAILYIJZVNRT-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.09
Rot. Bonds5

About 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine

2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine (PubChem CID 22270396) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine
PubChem CID22270396
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C16H17ClN4/c1-18-11-14(10-12-6-8-13(17)9-7-12)21-16-5-3-2-4-15(16)19-20-21/h2-9,14,18H,10-11H2,1H3
InChIKeyLRSAILYIJZVNRT-UHFFFAOYSA-N
XLogP3.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-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-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
N-[1,3-bis(benzotriazol-1-yl)butyl]-4-chloroaniline
CID 3657048
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole
CID 102308449
4-[1-(benzotriazol-1-yl)-2-phenylethyl]-N-methylaniline
CID 3714247
2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
CID 83044953
N-[1-(benzotriazol-1-yl)butyl]-3-chloro-4-fluoroaniline
CID 5213451
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
2-[(4-chlorophenyl)methyl]-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052956
2-[(4-chlorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052955
N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62448568
1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole
CID 3812930

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine (CID 22270396) is 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Cl)cc1)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine?
The InChIKey is LRSAILYIJZVNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-18-11-14(10-12-6-8-13(17)9-7-12)21-16-5-3-2-4-15(16)19-20-21/h2-9,14,18H,10-11H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine?
2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine has a molecular weight of 300.79 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 22270396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).