[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine

C14H13Cl2NO — CID 22688669

IUPAC[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-5-6-13(16)14(7-12)18-9-11-3-1-10(8-17)2-4-11/h1-7H,8-9,17H2
InChIKeyYVCRGWYTFFYYDY-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.03
Rot. Bonds4

About [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine

[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine (PubChem CID 22688669) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
PubChem CID22688669
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-5-6-13(16)14(7-12)18-9-11-3-1-10(8-17)2-4-11/h1-7H,8-9,17H2
InChIKeyYVCRGWYTFFYYDY-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
CID 78906184
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62452227
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
CID 22688679
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 114322356
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine (CID 22688669) is [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine is NCc1ccc(COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine?
The InChIKey is YVCRGWYTFFYYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-12-5-6-13(16)14(7-12)18-9-11-3-1-10(8-17)2-4-11/h1-7H,8-9,17H2.
What are the key properties of [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine?
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine has a molecular weight of 282.17 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 22688669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).