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

C15H15ClFNO — CID 112678483

IUPAC1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-14(18)11-5-3-4-6-15(11)19-10-7-8-13(17)12(16)9-10/h3-9,14H,2,18H2,1H3
InChIKeySNUCIXKMPXCZOY-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.68
Rot. Bonds4

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

1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine (PubChem CID 112678483) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
PubChem CID112678483
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-14(18)11-5-3-4-6-15(11)19-10-7-8-13(17)12(16)9-10/h3-9,14H,2,18H2,1H3
InChIKeySNUCIXKMPXCZOY-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-chloro-4-fluorophenoxy)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

(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]butan-2-amine
CID 63879542
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
(1R)-1-[2-(2-fluoro-5-methylphenoxy)phenyl]propan-1-amine
CID 103959407
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine (CID 112678483) is 1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine is CCC(N)c1ccccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine?
The InChIKey is SNUCIXKMPXCZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-14(18)11-5-3-4-6-15(11)19-10-7-8-13(17)12(16)9-10/h3-9,14H,2,18H2,1H3.
What are the key properties of 1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine?
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine has a molecular weight of 279.74 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 112678483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).