N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine

C16H22F3N — CID 53318453

IUPACN,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
SMILESCN(C)CC1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C16H22F3N/c1-20(2)12-15(9-4-3-5-10-15)13-7-6-8-14(11-13)16(17,18)19/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeySYDXJSKTVHXBGQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.47
Rot. Bonds3

About N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine

N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine (PubChem CID 53318453) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
PubChem CID53318453
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
SMILESCN(C)CC1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C16H22F3N/c1-20(2)12-15(9-4-3-5-10-15)13-7-6-8-14(11-13)16(17,18)19/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeySYDXJSKTVHXBGQ-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53321082
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53321081
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836
1,1-diethyl-2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]guanidine;hydroiodide
CID 111083320
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
1-[1-(4-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53324333
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
1,1-diethyl-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine
CID 111820806

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine (CID 53318453) is N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine is CN(C)CC1(c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
The InChIKey is SYDXJSKTVHXBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-20(2)12-15(9-4-3-5-10-15)13-7-6-8-14(11-13)16(17,18)19/h6-8,11H,3-5,9-10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 53318453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).