1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine

C12H15ClF3NO — CID 64564905

IUPAC1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF3NO/c1-8(17)6-9-2-3-11(10(13)7-9)18-5-4-12(14,15)16/h2-3,7-8H,4-6,17H2,1H3
InChIKeyUOHRNQQZWLDVRQ-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.56
Rot. Bonds5

About 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine

1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine (PubChem CID 64564905) has the molecular formula C12H15ClF3NO and a molecular weight of 281.71 g/mol. Its IUPAC name is 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
PubChem CID64564905
Molecular FormulaC12H15ClF3NO
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Name1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF3NO/c1-8(17)6-9-2-3-11(10(13)7-9)18-5-4-12(14,15)16/h2-3,7-8H,4-6,17H2,1H3
InChIKeyUOHRNQQZWLDVRQ-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]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

1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566147
4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide
CID 63890599
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954132
4-(bromomethyl)-2-chloro-1-(4,4,4-trifluorobutoxy)benzene
CID 115514421
1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64565529
1-[3-chloro-4-[3-(oxolan-2-yl)propoxy]phenyl]propan-2-amine
CID 65164688
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
CID 79168592
1-[4-pentoxy-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320382
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine (CID 64564905) is 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(OCCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
The InChIKey is UOHRNQQZWLDVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO/c1-8(17)6-9-2-3-11(10(13)7-9)18-5-4-12(14,15)16/h2-3,7-8H,4-6,17H2,1H3.
What are the key properties of 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine has a molecular weight of 281.71 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 64564905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).