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

C14H20N4O — CID 115682303

IUPAC1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnnn1C)c1ccccc1OC
InChIInChI=1S/C14H20N4O/c1-4-13(12-7-5-6-8-14(12)19-3)15-9-11-10-16-17-18(11)2/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyDLJWOGNZXROBNQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds6

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

1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 115682303) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID115682303
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnnn1C)c1ccccc1OC
InChIInChI=1S/C14H20N4O/c1-4-13(12-7-5-6-8-14(12)19-3)15-9-11-10-16-17-18(11)2/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyDLJWOGNZXROBNQ-UHFFFAOYSA-N
XLogP2.06
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682134
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
CID 64829572
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
CID 113257729
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 82733459
N-[(3-methyltriazol-4-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 115682482
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine
CID 115682761

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine (CID 115682303) is 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine is CCC(NCc1cnnn1C)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is DLJWOGNZXROBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-13(12-7-5-6-8-14(12)19-3)15-9-11-10-16-17-18(11)2/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine?
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115682303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).