[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine

C14H13ClFNO — CID 107655131

IUPAC[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine
SMILESCc1cccc(Oc2ccc(CN)c(Cl)c2)c1F
InChIInChI=1S/C14H13ClFNO/c1-9-3-2-4-13(14(9)16)18-11-6-5-10(8-17)12(15)7-11/h2-7H,8,17H2,1H3
InChIKeyTUUQJIZQTCNGHN-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.04
Rot. Bonds3

About [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine

[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine (PubChem CID 107655131) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine
PubChem CID107655131
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine
SMILESCc1cccc(Oc2ccc(CN)c(Cl)c2)c1F
InChIInChI=1S/C14H13ClFNO/c1-9-3-2-4-13(14(9)16)18-11-6-5-10(8-17)12(15)7-11/h2-7H,8,17H2,1H3
InChIKeyTUUQJIZQTCNGHN-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
CID 55145340
[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724784
[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724765
N-[2-[4-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62946547
[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 107532595
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
[1-(2-fluoro-3-methylphenoxy)isoquinolin-4-yl]methanamine
CID 107660852
[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
CID 63647338
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine (CID 107655131) is [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine is Cc1cccc(Oc2ccc(CN)c(Cl)c2)c1F.
What is the InChIKey of [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine?
The InChIKey is TUUQJIZQTCNGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-3-2-4-13(14(9)16)18-11-6-5-10(8-17)12(15)7-11/h2-7H,8,17H2,1H3.
What are the key properties of [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine?
[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine has a molecular weight of 265.72 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine is sourced from PubChem (CID 107655131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).