[4-(2-chlorophenoxy)phenyl]methanamine

C13H12ClNO — CID 5152206

IUPAC[4-(2-chlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClNO/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8H,9,15H2
InChIKeyLCYFTPJABNHFCH-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.59
Rot. Bonds3

About [4-(2-chlorophenoxy)phenyl]methanamine

[4-(2-chlorophenoxy)phenyl]methanamine (PubChem CID 5152206) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is [4-(2-chlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-chlorophenoxy)phenyl]methanamine
PubChem CID5152206
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name[4-(2-chlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClNO/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8H,9,15H2
InChIKeyLCYFTPJABNHFCH-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
azane;1-chloro-2-phenoxybenzene
CID 68980819
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine
CID 115041207
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
CID 11558602
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282969
3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine
CID 54040736
1-chloro-3-[4-(chloromethyl)phenoxy]-2-fluorobenzene
CID 116689418
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenoxy)phenyl]methanamine?
The IUPAC name of [4-(2-chlorophenoxy)phenyl]methanamine (CID 5152206) is [4-(2-chlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2-chlorophenoxy)phenyl]methanamine?
The canonical SMILES for [4-(2-chlorophenoxy)phenyl]methanamine is NCc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of [4-(2-chlorophenoxy)phenyl]methanamine?
The InChIKey is LCYFTPJABNHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8H,9,15H2.
What are the key properties of [4-(2-chlorophenoxy)phenyl]methanamine?
[4-(2-chlorophenoxy)phenyl]methanamine has a molecular weight of 233.70 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 5152206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).