1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine

C15H21ClN4O — CID 107622879

IUPAC1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1c(C(CC)NC)nnn1-c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H21ClN4O/c1-5-12(17-3)15-13(6-2)20(19-18-15)10-7-8-11(16)14(9-10)21-4/h7-9,12,17H,5-6H2,1-4H3
InChIKeyKLQYDRDPTIKQOQ-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.16
Rot. Bonds6

About 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine

1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine (PubChem CID 107622879) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
PubChem CID107622879
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1c(C(CC)NC)nnn1-c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H21ClN4O/c1-5-12(17-3)15-13(6-2)20(19-18-15)10-7-8-11(16)14(9-10)21-4/h7-9,12,17H,5-6H2,1-4H3
InChIKeyKLQYDRDPTIKQOQ-UHFFFAOYSA-N
XLogP3.16
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431439
1-[1-(3,4-difluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431541
1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine
CID 107589592
1-[1-(3-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431788
1-(3-chloro-4-methoxyphenyl)-5-ethyltriazole-4-carbaldehyde
CID 82196646
1-[1-(2,4-dibromophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431655
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431522
1-[1-(2-bromo-5-methylphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431748
1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431611
1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107530955
N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 107623260
1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine
CID 107623543

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine (CID 107622879) is 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine is CCc1c(C(CC)NC)nnn1-c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is KLQYDRDPTIKQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-5-12(17-3)15-13(6-2)20(19-18-15)10-7-8-11(16)14(9-10)21-4/h7-9,12,17H,5-6H2,1-4H3.
What are the key properties of 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine?
1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 308.81 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 107622879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).