1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine

C15H14Cl2FN — CID 102857098

IUPAC1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine
SMILESCC(N)(Cc1cccc(Cl)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2FN/c1-15(19,11-5-7-12(16)8-6-11)9-10-3-2-4-13(17)14(10)18/h2-8H,9,19H2,1H3
InChIKeyZCKQAYQVYIYDHF-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.55
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine

1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine (PubChem CID 102857098) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine
PubChem CID102857098
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine
SMILESCC(N)(Cc1cccc(Cl)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2FN/c1-15(19,11-5-7-12(16)8-6-11)9-10-3-2-4-13(17)14(10)18/h2-8H,9,19H2,1H3
InChIKeyZCKQAYQVYIYDHF-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-2-phenylpropan-2-amine
CID 107307722
2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine
CID 107559807
1-chloro-3-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-fluorobenzene
CID 102863972
1-(5-chloro-2-fluorophenyl)-2-phenylpropan-2-amine
CID 103047839
2-(4-bromophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 60799509
1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
1-(2,4-dichlorophenyl)-2-phenylpropan-2-amine
CID 62621984
2-(2,3-dichlorophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 114833591
4-(3-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 102864418
3-(aminomethyl)-4-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 102863427
2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine
CID 65316676

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine (CID 102857098) is 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine is CC(N)(Cc1cccc(Cl)c1F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine?
The InChIKey is ZCKQAYQVYIYDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-15(19,11-5-7-12(16)8-6-11)9-10-3-2-4-13(17)14(10)18/h2-8H,9,19H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine?
1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine has a molecular weight of 298.19 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine is sourced from PubChem (CID 102857098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).