(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine

C16H23F3N2 — CID 134459131

IUPAC(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
SMILESCN[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)CC[C@H]1N(C)C
InChIInChI=1S/C16H23F3N2/c1-20-14-10-12(7-8-15(14)21(2)3)11-5-4-6-13(9-11)16(17,18)19/h4-6,9,12,14-15,20H,7-8,10H2,1-3H3/t12-,14-,15-/m1/s1
InChIKeyMYOVJDSUMOJODV-BPLDGKMQSA-N
MW300.37 g/mol
LogP3.49
Rot. Bonds3

About (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine

(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine (PubChem CID 134459131) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
PubChem CID134459131
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
SMILESCN[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)CC[C@H]1N(C)C
InChIInChI=1S/C16H23F3N2/c1-20-14-10-12(7-8-15(14)21(2)3)11-5-4-6-13(9-11)16(17,18)19/h4-6,9,12,14-15,20H,7-8,10H2,1-3H3/t12-,14-,15-/m1/s1
InChIKeyMYOVJDSUMOJODV-BPLDGKMQSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine with MolForge

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Related Compounds

tert-butyl-[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid
CID 146472147
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
(1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 159954904
N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 81417477
cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367450
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
[(1S,2S,4S)-2-[[2-(dimethylamino)acetyl]amino]-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid
CID 139433640
2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 172692197
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
(1S,2S,5S)-N,N-dimethyl-2-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367551
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367568
(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 161426541

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
The IUPAC name of (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine (CID 134459131) is (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine.
What is the SMILES notation for (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
The canonical SMILES for (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine is CN[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)CC[C@H]1N(C)C.
What is the InChIKey of (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
The InChIKey is MYOVJDSUMOJODV-BPLDGKMQSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-20-14-10-12(7-8-15(14)21(2)3)11-5-4-6-13(9-11)16(17,18)19/h4-6,9,12,14-15,20H,7-8,10H2,1-3H3/t12-,14-,15-/m1/s1.
What are the key properties of (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine has a molecular weight of 300.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 134459131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).