[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine

C11H11F6N — CID 135742788

IUPAC[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine
SMILESCCc1c(C(F)(F)F)cc(CN)cc1C(F)(F)F
InChIInChI=1S/C11H11F6N/c1-2-7-8(10(12,13)14)3-6(5-18)4-9(7)11(15,16)17/h3-4H,2,5,18H2,1H3
InChIKeyXKSLELOZXQQFIH-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.75
Rot. Bonds2

About [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine

[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine (PubChem CID 135742788) has the molecular formula C11H11F6N and a molecular weight of 271.20 g/mol. Its IUPAC name is [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine
PubChem CID135742788
Molecular FormulaC11H11F6N
Molecular Weight271.20 g/mol
Exact Mass271.08
IUPAC Name[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine
SMILESCCc1c(C(F)(F)F)cc(CN)cc1C(F)(F)F
InChIInChI=1S/C11H11F6N/c1-2-7-8(10(12,13)14)3-6(5-18)4-9(7)11(15,16)17/h3-4H,2,5,18H2,1H3
InChIKeyXKSLELOZXQQFIH-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile
CID 134623563
4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline
CID 118829137
2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene
CID 166923791
5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene
CID 135742866
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
[4-iodo-3-(trifluoromethyl)phenyl]methanamine
CID 53414331
2-[4-ethyl-3,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 135742818
[2-iodo-4-methyl-6-(trifluoromethyl)phenyl]methanamine
CID 171018822
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
[4-(3-ethoxypropoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 65175971
1-(chloromethyl)-2-ethyl-3,5-bis(trifluoromethyl)benzene
CID 135742809
[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 79016220

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine (CID 135742788) is [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine is CCc1c(C(F)(F)F)cc(CN)cc1C(F)(F)F.
What is the InChIKey of [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine?
The InChIKey is XKSLELOZXQQFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N/c1-2-7-8(10(12,13)14)3-6(5-18)4-9(7)11(15,16)17/h3-4H,2,5,18H2,1H3.
What are the key properties of [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine?
[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine has a molecular weight of 271.20 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 135742788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).