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

C13H11ClFN — CID 24688739

IUPAC(2-chlorophenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C13H11ClFN/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8,13H,16H2
InChIKeySPLLOOKALMIBHS-UHFFFAOYSA-N
MW235.69 g/mol
LogP3.53
Rot. Bonds2

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

(2-chlorophenyl)-(4-fluorophenyl)methanamine (PubChem CID 24688739) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-fluorophenyl)methanamine
PubChem CID24688739
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name(2-chlorophenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C13H11ClFN/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8,13H,16H2
InChIKeySPLLOOKALMIBHS-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

Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
3-Chloro-4-fluorobenzylamine
CID 144539
2-(2-Chlorophenyl)ethylamine
CID 83117
2-Chlorobenzylamine
CID 66648
(2-Chloro-3-fluorophenyl)methanamine
CID 50998690
(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852
1-(2,4-Dichlorophenyl)Ethylamine
CID 2771858
1-(4-Chlorophenyl)ethylamine
CID 97803
2-(2-Chloro-6-fluorophenyl)ethan-1-amine
CID 2734094
(1S,6R)-6-(2-chlorophenyl)cyclohex-3-en-1-amine
CID 16049437
(1R)-1-(4-chlorophenyl)ethan-1-amine
CID 1715226

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-fluorophenyl)methanamine?
The IUPAC name of (2-chlorophenyl)-(4-fluorophenyl)methanamine (CID 24688739) is (2-chlorophenyl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(4-fluorophenyl)methanamine?
The InChIKey is SPLLOOKALMIBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8,13H,16H2.
What are the key properties of (2-chlorophenyl)-(4-fluorophenyl)methanamine?
(2-chlorophenyl)-(4-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 (2-chlorophenyl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 24688739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).