N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

C17H24F3N — CID 153367568

IUPACN,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCCN(CC)C1CCCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3N/c1-3-21(4-2)16-10-6-8-14(12-16)13-7-5-9-15(11-13)17(18,19)20/h5,7,9,11,14,16H,3-4,6,8,10,12H2,1-2H3
InChIKeyNTTIOLCLYSTQKI-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.07
Rot. Bonds4

About N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 153367568) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID153367568
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCCN(CC)C1CCCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3N/c1-3-21(4-2)16-10-6-8-14(12-16)13-7-5-9-15(11-13)17(18,19)20/h5,7,9,11,14,16H,3-4,6,8,10,12H2,1-2H3
InChIKeyNTTIOLCLYSTQKI-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367450
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64502717
1-chloro-3-[3-(trifluoromethyl)phenyl]cycloheptane
CID 64506404
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 3053803
(1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 159954904
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
tert-butyl-[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid
CID 146472147
(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 134459131
1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene
CID 163547034

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 153367568) is N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is CCN(CC)C1CCCC(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is NTTIOLCLYSTQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-3-21(4-2)16-10-6-8-14(12-16)13-7-5-9-15(11-13)17(18,19)20/h5,7,9,11,14,16H,3-4,6,8,10,12H2,1-2H3.
What are the key properties of N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 153367568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).