[2-(3,5-dichlorophenoxy)phenyl]methanamine

C13H11Cl2NO — CID 43622066

IUPAC[2-(3,5-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c14-10-5-11(15)7-12(6-10)17-13-4-2-1-3-9(13)8-16/h1-7H,8,16H2
InChIKeyJWAHFBQRBKDTIR-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.24
Rot. Bonds3

About [2-(3,5-dichlorophenoxy)phenyl]methanamine

[2-(3,5-dichlorophenoxy)phenyl]methanamine (PubChem CID 43622066) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is [2-(3,5-dichlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dichlorophenoxy)phenyl]methanamine
PubChem CID43622066
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name[2-(3,5-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c14-10-5-11(15)7-12(6-10)17-13-4-2-1-3-9(13)8-16/h1-7H,8,16H2
InChIKeyJWAHFBQRBKDTIR-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622057
(2-naphthalen-2-yloxyphenyl)methanamine
CID 19627401
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
2-[2-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107711772
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277
[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22683172
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
4-[2-(aminomethyl)phenoxy]benzamide
CID 28824744
1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene
CID 107087809
1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene
CID 154508539

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenoxy)phenyl]methanamine?
The IUPAC name of [2-(3,5-dichlorophenoxy)phenyl]methanamine (CID 43622066) is [2-(3,5-dichlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-(3,5-dichlorophenoxy)phenyl]methanamine?
The canonical SMILES for [2-(3,5-dichlorophenoxy)phenyl]methanamine is NCc1ccccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [2-(3,5-dichlorophenoxy)phenyl]methanamine?
The InChIKey is JWAHFBQRBKDTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-10-5-11(15)7-12(6-10)17-13-4-2-1-3-9(13)8-16/h1-7H,8,16H2.
What are the key properties of [2-(3,5-dichlorophenoxy)phenyl]methanamine?
[2-(3,5-dichlorophenoxy)phenyl]methanamine has a molecular weight of 268.14 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 43622066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).