1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

C17H18N4O — CID 17455113

IUPAC1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H18N4O/c1-22-17-9-5-6-14(10-17)11-18-12-15-13-19-21(20-15)16-7-3-2-4-8-16/h2-10,13,18H,11-12H2,1H3
InChIKeyNRWOCNRZTIICQP-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.57
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 17455113) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
PubChem CID17455113
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H18N4O/c1-22-17-9-5-6-14(10-17)11-18-12-15-13-19-21(20-15)16-7-3-2-4-8-16/h2-10,13,18H,11-12H2,1H3
InChIKeyNRWOCNRZTIICQP-UHFFFAOYSA-N
XLogP2.57
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28774635
7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one
CID 26318921
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413
1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 62405326
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884458
N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 78925500
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (CID 17455113) is 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is COc1cccc(CNCc2cnn(-c3ccccc3)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is NRWOCNRZTIICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-17-9-5-6-14(10-17)11-18-12-15-13-19-21(20-15)16-7-3-2-4-8-16/h2-10,13,18H,11-12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 294.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 17455113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).