[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine

C10H11ClF3N — CID 57355635

IUPAC[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine
SMILESCCc1c(CN)ccc(Cl)c1C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-2-7-6(5-15)3-4-8(11)9(7)10(12,13)14/h3-4H,2,5,15H2,1H3
InChIKeyHLYISFDVADQBNK-UHFFFAOYSA-N
MW237.65 g/mol
LogP3.38
Rot. Bonds2

About [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine

[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 57355635) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine
PubChem CID57355635
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine
SMILESCCc1c(CN)ccc(Cl)c1C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-2-7-6(5-15)3-4-8(11)9(7)10(12,13)14/h3-4H,2,5,15H2,1H3
InChIKeyHLYISFDVADQBNK-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
1-chloro-4-(chloromethyl)-3-iodo-2-(trifluoromethyl)benzene
CID 70578657
(2-butyl-3,4-dichlorophenyl)methanamine
CID 57351409
1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
CID 122548871
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791
3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
CID 176694271
2-tert-butyl-1-chloro-4-ethyl-3-fluorobenzene
CID 138536144
2-[3,6-dichloro-2-(trifluoromethyl)phenyl]acetonitrile
CID 171009970
2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid
CID 131283200
4-ethyl-2-fluoro-3-(trifluoromethyl)aniline;hydrochloride
CID 68821424

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine (CID 57355635) is [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine is CCc1c(CN)ccc(Cl)c1C(F)(F)F.
What is the InChIKey of [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HLYISFDVADQBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-2-7-6(5-15)3-4-8(11)9(7)10(12,13)14/h3-4H,2,5,15H2,1H3.
What are the key properties of [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine?
[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 237.65 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 57355635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).