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

C15H15ClF2N2 — CID 68804653

IUPAC(1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine
SMILESC[C@](N)(c1ccc(F)c(F)c1)[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClF2N2/c1-15(20,10-4-7-12(17)13(18)8-10)14(19)9-2-5-11(16)6-3-9/h2-8,14H,19-20H2,1H3/t14-,15+/m1/s1
InChIKeyXMEGZYHEWMWIQP-CABCVRRESA-N
MW296.75 g/mol
LogP3.49
Rot. Bonds3

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

(1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine (PubChem CID 68804653) has the molecular formula C15H15ClF2N2 and a molecular weight of 296.75 g/mol. Its IUPAC name is (1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name(1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine
PubChem CID68804653
Molecular FormulaC15H15ClF2N2
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine
SMILESC[C@](N)(c1ccc(F)c(F)c1)[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClF2N2/c1-15(20,10-4-7-12(17)13(18)8-10)14(19)9-2-5-11(16)6-3-9/h2-8,14H,19-20H2,1H3/t14-,15+/m1/s1
InChIKeyXMEGZYHEWMWIQP-CABCVRRESA-N
XLogP3.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852
1-(4-Chlorophenyl)ethylamine
CID 97803
(1R)-1-(4-chlorophenyl)ethan-1-amine
CID 1715226
(4-Chlorophenyl)(phenyl)methanamine
CID 409810
1-(4-Chlorophenyl)propan-1-amine
CID 12622928
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
1,3-Bis(4-chlorophenyl)propan-2-amine
CID 24257988
[4-[2-Chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 82039681

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine?
The IUPAC name of (1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine (CID 68804653) is (1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine.
What is the SMILES notation for (1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine?
The canonical SMILES for (1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine is C[C@](N)(c1ccc(F)c(F)c1)[C@H](N)c1ccc(Cl)cc1.
What is the InChIKey of (1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine?
The InChIKey is XMEGZYHEWMWIQP-CABCVRRESA-N. The full InChI is InChI=1S/C15H15ClF2N2/c1-15(20,10-4-7-12(17)13(18)8-10)14(19)9-2-5-11(16)6-3-9/h2-8,14H,19-20H2,1H3/t14-,15+/m1/s1.
What are the key properties of (1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine?
(1R,2S)-1-(4-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine has a molecular weight of 296.75 g/mol, XLogP of 3.49, 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-chlorophenyl)-2-(3,4-difluorophenyl)propane-1,2-diamine is sourced from PubChem (CID 68804653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).