N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline

C15H20BrF3N2 — CID 107286973

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline
SMILESCC1CCCCC1(CN)Nc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C15H20BrF3N2/c1-10-4-2-3-7-14(10,9-20)21-13-8-11(16)5-6-12(13)15(17,18)19/h5-6,8,10,21H,2-4,7,9,20H2,1H3
InChIKeyNOAMYGNDPPMPMW-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.79
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline (PubChem CID 107286973) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline
PubChem CID107286973
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline
SMILESCC1CCCCC1(CN)Nc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C15H20BrF3N2/c1-10-4-2-3-7-14(10,9-20)21-13-8-11(16)5-6-12(13)15(17,18)19/h5-6,8,10,21H,2-4,7,9,20H2,1H3
InChIKeyNOAMYGNDPPMPMW-UHFFFAOYSA-N
XLogP4.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline (CID 107286973) is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline is CC1CCCCC1(CN)Nc1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline?
The InChIKey is NOAMYGNDPPMPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-10-4-2-3-7-14(10,9-20)21-13-8-11(16)5-6-12(13)15(17,18)19/h5-6,8,10,21H,2-4,7,9,20H2,1H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline?
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline has a molecular weight of 365.24 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).