N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline

C17H25F3N2 — CID 97160739

IUPACN,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline
SMILESC[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1N(C)C
InChIInChI=1S/C17H25F3N2/c1-12(15-6-4-5-7-16(15)22(2)3)21-14-10-8-13(9-11-14)17(18,19)20/h4-7,12-14,21H,8-11H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyTZOFYFSVUFMJTO-IYXRBSQSSA-N
MW314.39 g/mol
LogP4.52
Rot. Bonds4

About N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline

N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline (PubChem CID 97160739) has the molecular formula C17H25F3N2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline
PubChem CID97160739
Molecular FormulaC17H25F3N2
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC NameN,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline
SMILESC[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1N(C)C
InChIInChI=1S/C17H25F3N2/c1-12(15-6-4-5-7-16(15)22(2)3)21-14-10-8-13(9-11-14)17(18,19)20/h4-7,12-14,21H,8-11H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyTZOFYFSVUFMJTO-IYXRBSQSSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-[2-(dimethylamino)phenyl]ethylamino]cyclohexyl]methanol
CID 84594317
[4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol
CID 98567640
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730440
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81402923
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730386
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730358
N-[1-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54898262
cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone
CID 97160771
N-[1-(3-bromo-2-fluorophenyl)ethyl]cyclopropanamine
CID 169245628
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline (CID 97160739) is N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline is C[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline?
The InChIKey is TZOFYFSVUFMJTO-IYXRBSQSSA-N. The full InChI is InChI=1S/C17H25F3N2/c1-12(15-6-4-5-7-16(15)22(2)3)21-14-10-8-13(9-11-14)17(18,19)20/h4-7,12-14,21H,8-11H2,1-3H3/t12-,13?,14?/m1/s1.
What are the key properties of N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline?
N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline has a molecular weight of 314.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline is sourced from PubChem (CID 97160739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).