[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine

C9H9ClF3NO — CID 171020934

IUPAC[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(Cl)c(CN)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c1-15-8-3-7(10)5(4-14)2-6(8)9(11,12)13/h2-3H,4,14H2,1H3
InChIKeyFWLAXEGMDLVIIU-UHFFFAOYSA-N
MW239.62 g/mol
LogP2.83
Rot. Bonds2

About [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine

[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 171020934) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
PubChem CID171020934
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(Cl)c(CN)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c1-15-8-3-7(10)5(4-14)2-6(8)9(11,12)13/h2-3H,4,14H2,1H3
InChIKeyFWLAXEGMDLVIIU-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014545
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
(2-chloro-5-iodo-4-methoxyphenyl)methanamine
CID 171021193
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433
1-chloro-5-(chloromethyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 171007479
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014019
[2-chloro-4-methoxy-6-(trifluoromethyl)phenyl]methanamine
CID 171021002
5-(aminomethyl)-4-chloro-2-(trifluoromethyl)benzonitrile
CID 171015389
CID 162430150
CID 162430150
2-chloro-1-[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028463

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine (CID 171020934) is [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine is COc1cc(Cl)c(CN)cc1C(F)(F)F.
What is the InChIKey of [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FWLAXEGMDLVIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c1-15-8-3-7(10)5(4-14)2-6(8)9(11,12)13/h2-3H,4,14H2,1H3.
What are the key properties of [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine?
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 239.62 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171020934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).