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

C13H10ClF2NO — CID 62493344

IUPAC[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H10ClF2NO/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-11(15)12(16)6-10/h1-6H,7,17H2
InChIKeySXCDKHFROLGNAV-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.87
Rot. Bonds3

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

[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine (PubChem CID 62493344) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is [5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
PubChem CID62493344
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H10ClF2NO/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-11(15)12(16)6-10/h1-6H,7,17H2
InChIKeySXCDKHFROLGNAV-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62493858
[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
CID 62494201
[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63456890
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine
CID 53434344
6-[2-(aminomethyl)-4-chlorophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62493675
[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 43528649
[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
CID 114846231
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857685

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine (CID 62493344) is [5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine is NCc1cc(Cl)ccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of [5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine?
The InChIKey is SXCDKHFROLGNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-11(15)12(16)6-10/h1-6H,7,17H2.
What are the key properties of [5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine?
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine has a molecular weight of 269.68 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 62493344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).