2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine

C14H19ClN4 — CID 114687105

IUPAC2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C14H19ClN4/c1-3-8-19-14(10-17-18-19)13(16-2)9-11-4-6-12(15)7-5-11/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyRHEGXKTWFBPHAH-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine

2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114687105) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114687105
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C14H19ClN4/c1-3-8-19-14(10-17-18-19)13(16-2)9-11-4-6-12(15)7-5-11/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyRHEGXKTWFBPHAH-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine
CID 114213157
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038787
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688232
N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182268
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine (CID 114687105) is 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(Cc1ccc(Cl)cc1)NC.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is RHEGXKTWFBPHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-3-8-19-14(10-17-18-19)13(16-2)9-11-4-6-12(15)7-5-11/h4-7,10,13,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 278.79 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).