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

C15H21ClN4 — CID 107053486

IUPAC2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cn(C)nn1)c1ccccc1Cl
InChIInChI=1S/C15H21ClN4/c1-11(2)17-9-12(8-13-10-20(3)19-18-13)14-6-4-5-7-15(14)16/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyRCBBOHPRFWZNCR-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.79
Rot. Bonds6

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

2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 107053486) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
PubChem CID107053486
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cn(C)nn1)c1ccccc1Cl
InChIInChI=1S/C15H21ClN4/c1-11(2)17-9-12(8-13-10-20(3)19-18-13)14-6-4-5-7-15(14)16/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyRCBBOHPRFWZNCR-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053484
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79436850
4-[3-chloro-2-(2-methylphenyl)propyl]-1-methyltriazole
CID 107058169
1-(2,3-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064418
2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644240
2-(2-bromophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053492
4-[3-bromo-2-(2-methylphenyl)propyl]-1-methyltriazole
CID 107058173
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866
2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437
2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052828
1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063926

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine (CID 107053486) is 2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1cn(C)nn1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is RCBBOHPRFWZNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11(2)17-9-12(8-13-10-20(3)19-18-13)14-6-4-5-7-15(14)16/h4-7,10-12,17H,8-9H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine?
2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 107053486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).