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

C15H14Cl2F2N2 — CID 70237445

IUPAC(2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
SMILESC[C@](N)(c1ccc(Cl)cc1F)C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14Cl2F2N2/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-/m0/s1
InChIKeyMILAMGNPXQHRIH-LOACHALJSA-N
MW331.19 g/mol
LogP4.15
Rot. Bonds3

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

(2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine (PubChem CID 70237445) has the molecular formula C15H14Cl2F2N2 and a molecular weight of 331.19 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
PubChem CID70237445
Molecular FormulaC15H14Cl2F2N2
Molecular Weight331.19 g/mol
Exact Mass330.05
IUPAC Name(2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
SMILESC[C@](N)(c1ccc(Cl)cc1F)C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14Cl2F2N2/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-/m0/s1
InChIKeyMILAMGNPXQHRIH-LOACHALJSA-N
XLogP4.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.15
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-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine
CID 3833141
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
1,3-Bis(4-chlorophenyl)propan-2-amine
CID 24257988
trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
CID 118732674
2-(4-Chlorophenyl)-2-fluorocyclopropanamine hydrochloride
CID 45265682
1,2-Bis(4-chlorophenyl)ethan-1-amine hydrochloride
CID 3052528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine?
The IUPAC name of (2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine (CID 70237445) is (2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine is C[C@](N)(c1ccc(Cl)cc1F)C(N)c1ccc(Cl)c(F)c1.
What is the InChIKey of (2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine?
The InChIKey is MILAMGNPXQHRIH-LOACHALJSA-N. The full InChI is InChI=1S/C15H14Cl2F2N2/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-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine?
(2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine has a molecular weight of 331.19 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine is sourced from PubChem (CID 70237445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).