(2-chloro-6-phenoxyphenyl)methanamine

C13H12ClNO — CID 2777206

IUPAC(2-chloro-6-phenoxyphenyl)methanamine
SMILESNCc1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C13H12ClNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H,9,15H2
InChIKeySNTOZVXKDWQFEW-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.59
Rot. Bonds3

About (2-chloro-6-phenoxyphenyl)methanamine

(2-chloro-6-phenoxyphenyl)methanamine (PubChem CID 2777206) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is (2-chloro-6-phenoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-phenoxyphenyl)methanamine
PubChem CID2777206
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name(2-chloro-6-phenoxyphenyl)methanamine
SMILESNCc1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C13H12ClNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H,9,15H2
InChIKeySNTOZVXKDWQFEW-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-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
azane;1-chloro-2-phenoxybenzene
CID 68980819
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine
CID 67046009
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-phenoxyphenyl)methanamine?
The IUPAC name of (2-chloro-6-phenoxyphenyl)methanamine (CID 2777206) is (2-chloro-6-phenoxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-6-phenoxyphenyl)methanamine?
The canonical SMILES for (2-chloro-6-phenoxyphenyl)methanamine is NCc1c(Cl)cccc1Oc1ccccc1.
What is the InChIKey of (2-chloro-6-phenoxyphenyl)methanamine?
The InChIKey is SNTOZVXKDWQFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H,9,15H2.
What are the key properties of (2-chloro-6-phenoxyphenyl)methanamine?
(2-chloro-6-phenoxyphenyl)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 (2-chloro-6-phenoxyphenyl)methanamine is sourced from PubChem (CID 2777206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).