1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine

C13H17FN4 — CID 107048702

IUPAC1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1cn(C)nn1
InChIInChI=1S/C13H17FN4/c1-15-12(8-13-9-18(2)17-16-13)7-10-4-3-5-11(14)6-10/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyIQCJUOXDHIEJNP-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.33
Rot. Bonds5

About 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine

1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine (PubChem CID 107048702) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
PubChem CID107048702
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1cn(C)nn1
InChIInChI=1S/C13H17FN4/c1-15-12(8-13-9-18(2)17-16-13)7-10-4-3-5-11(14)6-10/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyIQCJUOXDHIEJNP-UHFFFAOYSA-N
XLogP1.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-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

N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048839
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 104801496
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65476281
4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107048753
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649
1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048713
1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine
CID 79087242
[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105204779
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107049316
2-[(3-bromophenyl)methyl]-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053010
N-methyl-1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 107064582
1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine (CID 107048702) is 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine is CNC(Cc1cccc(F)c1)Cc1cn(C)nn1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The InChIKey is IQCJUOXDHIEJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-15-12(8-13-9-18(2)17-16-13)7-10-4-3-5-11(14)6-10/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine has a molecular weight of 248.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 107048702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).