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

C15H15Cl2FN2 — CID 58542396

IUPAC(1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
SMILESC[C@](N)(c1ccc(Cl)cc1)[C@H](N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15Cl2FN2/c1-15(20,10-3-5-11(16)6-4-10)14(19)9-2-7-12(17)13(18)8-9/h2-8,14H,19-20H2,1H3/t14-,15+/m1/s1
InChIKeyZRWYPTGXUYFXRE-CABCVRRESA-N
MW313.20 g/mol
LogP4.01
Rot. Bonds3

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

(1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine (PubChem CID 58542396) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is (1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name(1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
PubChem CID58542396
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name(1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
SMILESC[C@](N)(c1ccc(Cl)cc1)[C@H](N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15Cl2FN2/c1-15(20,10-3-5-11(16)6-4-10)14(19)9-2-7-12(17)13(18)8-9/h2-8,14H,19-20H2,1H3/t14-,15+/m1/s1
InChIKeyZRWYPTGXUYFXRE-CABCVRRESA-N
XLogP4.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(4-Chlorophenyl)(phenyl)methanamine
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1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine
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1-(4-Chlorophenyl)propan-1-amine
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2-(4-Chlorophenyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
CID 3052629
4-Chlorobenzhydrylamine hydrochloride
CID 16219096
trans-2-(4-Chlorophenyl)-2-fluorocyclopropanamine
CID 11241513
cis-2-(4-Chlorophenyl)-2-fluorocyclopropanamine
CID 11390419
(2R)-2-(4-Chlorophenyl)-2-phenylethanamine
CID 16122635

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
The IUPAC name of (1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine (CID 58542396) is (1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine.
What is the SMILES notation for (1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
The canonical SMILES for (1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine is C[C@](N)(c1ccc(Cl)cc1)[C@H](N)c1ccc(Cl)c(F)c1.
What is the InChIKey of (1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
The InChIKey is ZRWYPTGXUYFXRE-CABCVRRESA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-15(20,10-3-5-11(16)6-4-10)14(19)9-2-7-12(17)13(18)8-9/h2-8,14H,19-20H2,1H3/t14-,15+/m1/s1.
What are the key properties of (1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
(1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine has a molecular weight of 313.20 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine is sourced from PubChem (CID 58542396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).