(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine

C16H22F3NO — CID 107188677

IUPAC(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCC1(C)CCCCC1C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-15(2)9-4-3-8-13(15)14(20)11-6-5-7-12(10-11)21-16(17,18)19/h5-7,10,13-14H,3-4,8-9,20H2,1-2H3
InChIKeyBOKUHOANDWBFCW-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.80
Rot. Bonds3

About (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine

(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 107188677) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID107188677
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCC1(C)CCCCC1C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-15(2)9-4-3-8-13(15)14(20)11-6-5-7-12(10-11)21-16(17,18)19/h5-7,10,13-14H,3-4,8-9,20H2,1-2H3
InChIKeyBOKUHOANDWBFCW-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191370
[(2,2-dimethylcyclopentyl)-[3-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 107193892
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 80685342
2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 115854106
(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
CID 107191314
2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 65138818
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177030
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 156699931
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160346

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine (CID 107188677) is (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine is CC1(C)CCCCC1C(N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is BOKUHOANDWBFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-15(2)9-4-3-8-13(15)14(20)11-6-5-7-12(10-11)21-16(17,18)19/h5-7,10,13-14H,3-4,8-9,20H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine?
(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 301.35 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 107188677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).