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

C14H20N4O — CID 107052825

IUPAC2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2cn(C)nn2)c1
InChIInChI=1S/C14H20N4O/c1-18-10-13(16-17-18)7-12(9-15)6-11-4-3-5-14(8-11)19-2/h3-5,8,10,12H,6-7,9,15H2,1-2H3
InChIKeyKVHGSZONBPIKBE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.18
Rot. Bonds6

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

2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine (PubChem CID 107052825) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
PubChem CID107052825
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2cn(C)nn2)c1
InChIInChI=1S/C14H20N4O/c1-18-10-13(16-17-18)7-12(9-15)6-11-4-3-5-14(8-11)19-2/h3-5,8,10,12H,6-7,9,15H2,1-2H3
InChIKeyKVHGSZONBPIKBE-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-1-methyltriazole
CID 107058155
2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052817
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053022
2-(3-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698589
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 104810378
2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052828
2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515952
2-[(3-bromophenyl)methyl]-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053010
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 55083986

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine (CID 107052825) is 2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine is COc1cccc(CC(CN)Cc2cn(C)nn2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The InChIKey is KVHGSZONBPIKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18-10-13(16-17-18)7-12(9-15)6-11-4-3-5-14(8-11)19-2/h3-5,8,10,12H,6-7,9,15H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
2-[(3-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-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107052825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).