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

C13H10Cl3NO — CID 63088683

IUPAC[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3NO/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6H,7,17H2
InChIKeyCZCXGIJRHFLPJY-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.90
Rot. Bonds3

About [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine

[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine (PubChem CID 63088683) has the molecular formula C13H10Cl3NO and a molecular weight of 302.59 g/mol. Its IUPAC name is [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
PubChem CID63088683
Molecular FormulaC13H10Cl3NO
Molecular Weight302.59 g/mol
Exact Mass300.98
IUPAC Name[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3NO/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6H,7,17H2
InChIKeyCZCXGIJRHFLPJY-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
CID 62296562
2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
CID 81160082
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
[4-(2-chloro-5-nitrophenoxy)-3-fluorophenyl]methanamine
CID 63992772

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine (CID 63088683) is [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine is NCc1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine?
The InChIKey is CZCXGIJRHFLPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6H,7,17H2.
What are the key properties of [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine?
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine has a molecular weight of 302.59 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 63088683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).