(4-chlorophenyl)-(2-fluorophenyl)methanamine

C13H11ClFN — CID 24689178

IUPAC(4-chlorophenyl)-(2-fluorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C13H11ClFN/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13H,16H2
InChIKeyBJNLCFXGOREBNI-UHFFFAOYSA-N
MW235.69 g/mol
LogP3.53
Rot. Bonds2

About (4-chlorophenyl)-(2-fluorophenyl)methanamine

(4-chlorophenyl)-(2-fluorophenyl)methanamine (PubChem CID 24689178) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-fluorophenyl)methanamine
PubChem CID24689178
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name(4-chlorophenyl)-(2-fluorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C13H11ClFN/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13H,16H2
InChIKeyBJNLCFXGOREBNI-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Chloro-4-fluorobenzylamine
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2-(4-Chlorophenyl)ethylamine
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(S)-(-)-1-(4-chlorophenyl)ethylamine
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1-(2,4-Dichlorophenyl)Ethylamine
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1-(4-Chlorophenyl)ethylamine
CID 97803
(1R)-1-(4-chlorophenyl)ethan-1-amine
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1-(2-Chlorophenyl)ethanamine
CID 299767
Benzhydrylammonium chloride
CID 78921
(4-Chlorophenyl)(phenyl)methanamine
CID 409810

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-fluorophenyl)methanamine?
The IUPAC name of (4-chlorophenyl)-(2-fluorophenyl)methanamine (CID 24689178) is (4-chlorophenyl)-(2-fluorophenyl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(2-fluorophenyl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(2-fluorophenyl)methanamine is NC(c1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of (4-chlorophenyl)-(2-fluorophenyl)methanamine?
The InChIKey is BJNLCFXGOREBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13H,16H2.
What are the key properties of (4-chlorophenyl)-(2-fluorophenyl)methanamine?
(4-chlorophenyl)-(2-fluorophenyl)methanamine has a molecular weight of 235.69 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-fluorophenyl)methanamine is sourced from PubChem (CID 24689178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).