3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine

C10H11ClF3N — CID 66832871

IUPAC3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCCCc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3N/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-4,6H,1-2,5,15H2
InChIKeyHBUSXLZIZAFJQO-UHFFFAOYSA-N
MW237.65 g/mol
LogP3.25
Rot. Bonds3

About 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine

3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 66832871) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID66832871
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCCCc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3N/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-4,6H,1-2,5,15H2
InChIKeyHBUSXLZIZAFJQO-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2-chloro-5-(trifluoromethyl)phenyl]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

3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 53434374
2-(3-aminopropyl)-4-(trifluoromethyl)phenol
CID 82262792
2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115113362
3-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117422606
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]butane-1,4-diamine;hydrochloride
CID 171209572
potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
CID 171374127
3-[2-chloro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409127
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
CID 143805347

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine (CID 66832871) is 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine is NCCCc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is HBUSXLZIZAFJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-4,6H,1-2,5,15H2.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine?
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 237.65 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 66832871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).