N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

C15H22N4O — CID 105043493

IUPACN-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)c1cnnn1C
InChIInChI=1S/C15H22N4O/c1-4-10-16-15(14-11-17-18-19(14)3)12-6-8-13(9-7-12)20-5-2/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeyWZHNPKYHNODGOU-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.30
Rot. Bonds7

About N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 105043493) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID105043493
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)c1cnnn1C
InChIInChI=1S/C15H22N4O/c1-4-10-16-15(14-11-17-18-19(14)3)12-6-8-13(9-7-12)20-5-2/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeyWZHNPKYHNODGOU-UHFFFAOYSA-N
XLogP2.30
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine
CID 114687811
N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 114687092
N-[(3,5-dimethyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689034
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177
N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903
N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687717
(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 105184703
N-[(2,4-difluorophenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687635
N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105140865
N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 105184613
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114033825

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (CID 105043493) is N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(OCC)cc1)c1cnnn1C.
What is the InChIKey of N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is WZHNPKYHNODGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-10-16-15(14-11-17-18-19(14)3)12-6-8-13(9-7-12)20-5-2/h6-9,11,15-16H,4-5,10H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105043493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).