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

C14H20N4O — CID 107052817

IUPAC2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCOc1ccc(CC(CN)Cc2cn(C)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-18-10-13(16-17-18)8-12(9-15)7-11-3-5-14(19-2)6-4-11/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyHBCQNESJUBKEHU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.18
Rot. Bonds6

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

2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine (PubChem CID 107052817) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
PubChem CID107052817
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCOc1ccc(CC(CN)Cc2cn(C)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-18-10-13(16-17-18)8-12(9-15)7-11-3-5-14(19-2)6-4-11/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyHBCQNESJUBKEHU-UHFFFAOYSA-N
XLogP1.18
TPSA65.96 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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052825
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
4-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-1-methyltriazole
CID 107058155
4-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-1-methyltriazole
CID 107058130
2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052828
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053022
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine (CID 107052817) is 2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine is COc1ccc(CC(CN)Cc2cn(C)nn2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The InChIKey is HBCQNESJUBKEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18-10-13(16-17-18)8-12(9-15)7-11-3-5-14(19-2)6-4-11/h3-6,10,12H,7-9,15H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107052817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).