3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine

C14H20N4O — CID 106220877

IUPAC3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
SMILESCOc1ccc(CCn2cc(CCCN)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-19-14-6-4-12(5-7-14)8-10-18-11-13(16-17-18)3-2-9-15/h4-7,11H,2-3,8-10,15H2,1H3
InChIKeyRDPCQQSWHYYMJL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.42
Rot. Bonds7

About 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine

3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine (PubChem CID 106220877) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
PubChem CID106220877
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
SMILESCOc1ccc(CCn2cc(CCCN)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-19-14-6-4-12(5-7-14)8-10-18-11-13(16-17-18)3-2-9-15/h4-7,11H,2-3,8-10,15H2,1H3
InChIKeyRDPCQQSWHYYMJL-UHFFFAOYSA-N
XLogP1.42
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466
3-[1-[2-(4-nitrophenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106221490
2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine
CID 66205422
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
CID 106221129
4-[1-(2-thiophen-3-ylethyl)triazol-4-yl]butan-1-amine
CID 113424691
2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 79982447
3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220688
4-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539349
2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone
CID 73347920

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine (CID 106220877) is 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine is COc1ccc(CCn2cc(CCCN)nn2)cc1.
What is the InChIKey of 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine?
The InChIKey is RDPCQQSWHYYMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-14-6-4-12(5-7-14)8-10-18-11-13(16-17-18)3-2-9-15/h4-7,11H,2-3,8-10,15H2,1H3.
What are the key properties of 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine?
3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).