[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine

C15H19BrF3N — CID 104987940

IUPAC[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2cc(C(F)(F)F)ccc2Br)CC1
InChIInChI=1S/C15H19BrF3N/c1-9-2-4-10(5-3-9)14(20)12-8-11(15(17,18)19)6-7-13(12)16/h6-10,14H,2-5,20H2,1H3
InChIKeyNLJVWDJNOYQPMN-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.29
Rot. Bonds2

About [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine

[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine (PubChem CID 104987940) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine
PubChem CID104987940
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC Name[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2cc(C(F)(F)F)ccc2Br)CC1
InChIInChI=1S/C15H19BrF3N/c1-9-2-4-10(5-3-9)14(20)12-8-11(15(17,18)19)6-7-13(12)16/h6-10,14H,2-5,20H2,1H3
InChIKeyNLJVWDJNOYQPMN-UHFFFAOYSA-N
XLogP5.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171228434
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
CID 171263148
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171263151
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine?
The IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine (CID 104987940) is [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine?
The canonical SMILES for [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine is CC1CCC(C(N)c2cc(C(F)(F)F)ccc2Br)CC1.
What is the InChIKey of [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine?
The InChIKey is NLJVWDJNOYQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c1-9-2-4-10(5-3-9)14(20)12-8-11(15(17,18)19)6-7-13(12)16/h6-10,14H,2-5,20H2,1H3.
What are the key properties of [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine?
[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine has a molecular weight of 350.22 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 104987940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).