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

C13H17ClN4 — CID 107052828

IUPAC2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCn1cc(CC(CN)Cc2ccccc2Cl)nn1
InChIInChI=1S/C13H17ClN4/c1-18-9-12(16-17-18)7-10(8-15)6-11-4-2-3-5-13(11)14/h2-5,9-10H,6-8,15H2,1H3
InChIKeyBPMYJBKIEYUEDF-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.83
Rot. Bonds5

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

2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine (PubChem CID 107052828) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
PubChem CID107052828
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCn1cc(CC(CN)Cc2ccccc2Cl)nn1
InChIInChI=1S/C13H17ClN4/c1-18-9-12(16-17-18)7-10(8-15)6-11-4-2-3-5-13(11)14/h2-5,9-10H,6-8,15H2,1H3
InChIKeyBPMYJBKIEYUEDF-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052817
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052825
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047739
1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063926
2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053484
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014266
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine (CID 107052828) is 2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine is Cn1cc(CC(CN)Cc2ccccc2Cl)nn1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The InChIKey is BPMYJBKIEYUEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-18-9-12(16-17-18)7-10(8-15)6-11-4-2-3-5-13(11)14/h2-5,9-10H,6-8,15H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine has a molecular weight of 264.76 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107052828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).