1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine

C12H15ClN4 — CID 114028372

IUPAC1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCc1cc(Cl)ccc1C(N)Cc1cn(C)nn1
InChIInChI=1S/C12H15ClN4/c1-8-5-9(13)3-4-11(8)12(14)6-10-7-17(2)16-15-10/h3-5,7,12H,6,14H2,1-2H3
InChIKeyANJSKXCOJLUHJF-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.02
Rot. Bonds3

About 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine

1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 114028372) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID114028372
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCc1cc(Cl)ccc1C(N)Cc1cn(C)nn1
InChIInChI=1S/C12H15ClN4/c1-8-5-9(13)3-4-11(8)12(14)6-10-7-17(2)16-15-10/h3-5,7,12H,6,14H2,1-2H3
InChIKeyANJSKXCOJLUHJF-UHFFFAOYSA-N
XLogP2.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049092
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065654
1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064355
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
1-(2-bromo-4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063908
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048388
1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063841
1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063926
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064617

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 114028372) is 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine is Cc1cc(Cl)ccc1C(N)Cc1cn(C)nn1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is ANJSKXCOJLUHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-5-9(13)3-4-11(8)12(14)6-10-7-17(2)16-15-10/h3-5,7,12H,6,14H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 250.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114028372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).