(3-chloro-2-fluorophenyl)-phenylmethanamine

C13H11ClFN — CID 64713106

IUPAC(3-chloro-2-fluorophenyl)-phenylmethanamine
SMILESNC(c1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C13H11ClFN/c14-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h1-8,13H,16H2
InChIKeyNRDSIVMVXSIWEN-UHFFFAOYSA-N
MW235.69 g/mol
LogP3.53
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-phenylmethanamine

(3-chloro-2-fluorophenyl)-phenylmethanamine (PubChem CID 64713106) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-phenylmethanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-phenylmethanamine
PubChem CID64713106
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name(3-chloro-2-fluorophenyl)-phenylmethanamine
SMILESNC(c1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C13H11ClFN/c14-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h1-8,13H,16H2
InChIKeyNRDSIVMVXSIWEN-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

Benzenemethanamine, 3-chloro-
CID 77802
3-Chloro-4-fluorobenzylamine
CID 144539
3-Chlorophenethylamine
CID 139381
(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852
1-(4-Chlorophenyl)ethylamine
CID 97803
(1R)-1-(4-chlorophenyl)ethan-1-amine
CID 1715226
1-(2-Chlorophenyl)ethanamine
CID 299767
Benzhydrylammonium chloride
CID 78921
(4-Chlorophenyl)(phenyl)methanamine
CID 409810
1-(4-Chlorophenyl)propan-1-amine
CID 12622928
2'-Chlorobiphenyl-2-methylamine
CID 1393052
2-(4-Chlorophenyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
CID 3052629

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-phenylmethanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-phenylmethanamine (CID 64713106) is (3-chloro-2-fluorophenyl)-phenylmethanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-phenylmethanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-phenylmethanamine is NC(c1ccccc1)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-phenylmethanamine?
The InChIKey is NRDSIVMVXSIWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c14-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h1-8,13H,16H2.
What are the key properties of (3-chloro-2-fluorophenyl)-phenylmethanamine?
(3-chloro-2-fluorophenyl)-phenylmethanamine 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 (3-chloro-2-fluorophenyl)-phenylmethanamine is sourced from PubChem (CID 64713106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).