N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline

C15H20F4N2 — CID 107304201

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline
SMILESCC1CCCC(CN)(Nc2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C15H20F4N2/c1-10-3-2-6-14(8-10,9-20)21-13-5-4-11(7-12(13)16)15(17,18)19/h4-5,7,10,21H,2-3,6,8-9,20H2,1H3
InChIKeyDMRTZSWCFSTRHH-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.16
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline

N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline (PubChem CID 107304201) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline
PubChem CID107304201
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline
SMILESCC1CCCC(CN)(Nc2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C15H20F4N2/c1-10-3-2-6-14(8-10,9-20)21-13-5-4-11(7-12(13)16)15(17,18)19/h4-5,7,10,21H,2-3,6,8-9,20H2,1H3
InChIKeyDMRTZSWCFSTRHH-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline (CID 107304201) is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline is CC1CCCC(CN)(Nc2ccc(C(F)(F)F)cc2F)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline?
The InChIKey is DMRTZSWCFSTRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-10-3-2-6-14(8-10,9-20)21-13-5-4-11(7-12(13)16)15(17,18)19/h4-5,7,10,21H,2-3,6,8-9,20H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline?
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline has a molecular weight of 304.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107304201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).