(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine

C15H14BrClF2N2 — CID 123279976

IUPAC(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
SMILESC[C@](N)(c1ccc(Br)cc1F)[C@H](N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14BrClF2N2/c1-15(21,10-4-3-9(16)7-12(10)18)14(20)8-2-5-11(17)13(19)6-8/h2-7,14H,20-21H2,1H3/t14-,15+/m1/s1
InChIKeyUTSUMGLYMMKIBC-CABCVRRESA-N
MW375.64 g/mol
LogP4.25
Rot. Bonds3

About (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine

(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine (PubChem CID 123279976) has the molecular formula C15H14BrClF2N2 and a molecular weight of 375.64 g/mol. Its IUPAC name is (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
PubChem CID123279976
Molecular FormulaC15H14BrClF2N2
Molecular Weight375.64 g/mol
Exact Mass374.00
IUPAC Name(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
SMILESC[C@](N)(c1ccc(Br)cc1F)[C@H](N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14BrClF2N2/c1-15(21,10-4-3-9(16)7-12(10)18)14(20)8-2-5-11(17)13(19)6-8/h2-7,14H,20-21H2,1H3/t14-,15+/m1/s1
InChIKeyUTSUMGLYMMKIBC-CABCVRRESA-N
XLogP4.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-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

1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
3-(3-Bromo-5-fluorophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270718
1-(4-Chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
CID 58006950
1-(4-Chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine
CID 58007422
1-(4-Chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
CID 58007443
2-(4-Chloro-2-fluorophenyl)-1-(4-chlorophenyl)propane-1,2-diamine
CID 58007452
(1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
CID 58542396
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 59682348
(1R,2S)-1-(4-chloro-3-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 67058369
(1R,2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
CID 67058379
(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
CID 67537218
(1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine
CID 68804653

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine?
The IUPAC name of (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine (CID 123279976) is (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine.
What is the SMILES notation for (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine?
The canonical SMILES for (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine is C[C@](N)(c1ccc(Br)cc1F)[C@H](N)c1ccc(Cl)c(F)c1.
What is the InChIKey of (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine?
The InChIKey is UTSUMGLYMMKIBC-CABCVRRESA-N. The full InChI is InChI=1S/C15H14BrClF2N2/c1-15(21,10-4-3-9(16)7-12(10)18)14(20)8-2-5-11(17)13(19)6-8/h2-7,14H,20-21H2,1H3/t14-,15+/m1/s1.
What are the key properties of (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine?
(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine has a molecular weight of 375.64 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine is sourced from PubChem (CID 123279976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).