N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

C16H24N4O — CID 114686864

IUPACN-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC)c1cnnn1CCC
InChIInChI=1S/C16H24N4O/c1-4-10-17-16(13-8-6-7-9-15(13)21-3)14-12-18-19-20(14)11-5-2/h6-9,12,16-17H,4-5,10-11H2,1-3H3
InChIKeyXKMNCOLCFOPKIW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds8

About N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114686864) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114686864
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC)c1cnnn1CCC
InChIInChI=1S/C16H24N4O/c1-4-10-17-16(13-8-6-7-9-15(13)21-3)14-12-18-19-20(14)11-5-2/h6-9,12,16-17H,4-5,10-11H2,1-3H3
InChIKeyXKMNCOLCFOPKIW-UHFFFAOYSA-N
XLogP2.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
1-[2-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038764
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687718
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114686853
N-[(2-fluoro-6-methoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688697
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182286
N-[(2-bromo-5-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182104
N-[(4-chloro-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 107995221

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 114686864) is N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccccc1OC)c1cnnn1CCC.
What is the InChIKey of N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is XKMNCOLCFOPKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-10-17-16(13-8-6-7-9-15(13)21-3)14-12-18-19-20(14)11-5-2/h6-9,12,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114686864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).