2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

C10H13F3N2 — CID 20546638

IUPAC2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESNCC(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)9-3-1-2-7(4-9)8(5-14)6-15/h1-4,8H,5-6,14-15H2
InChIKeyNBRASIYUBHMLEN-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.71
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 20546638) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID20546638
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESNCC(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)9-3-1-2-7(4-9)8(5-14)6-15/h1-4,8H,5-6,14-15H2
InChIKeyNBRASIYUBHMLEN-UHFFFAOYSA-N
XLogP1.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine 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

(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 117243022
2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 79422492
5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine
CID 112509136
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
1-heptan-3-yl-3-(trifluoromethyl)benzene
CID 132500569
CID 162573398
CID 162573398
2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79422480

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 20546638) is 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is NCC(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is NBRASIYUBHMLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)9-3-1-2-7(4-9)8(5-14)6-15/h1-4,8H,5-6,14-15H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 218.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 20546638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).