cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide

C16H21F3N2O2 — CID 124685973

IUPACcis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C16H21F3N2O2/c1-21(15(22)11-6-4-7-13(20)9-11)10-12-5-2-3-8-14(12)23-16(17,18)19/h2-3,5,8,11,13H,4,6-7,9-10,20H2,1H3/t11-,13+/m0/s1
InChIKeyOLFMYMHKMIBOLE-WCQYABFASA-N
MW330.35 g/mol
LogP3.06
Rot. Bonds4

About cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide

cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 124685973) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID124685973
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Namecis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C16H21F3N2O2/c1-21(15(22)11-6-4-7-13(20)9-11)10-12-5-2-3-8-14(12)23-16(17,18)19/h2-3,5,8,11,13H,4,6-7,9-10,20H2,1H3/t11-,13+/m0/s1
InChIKeyOLFMYMHKMIBOLE-WCQYABFASA-N
XLogP3.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119738433
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 134047532
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
cis-(1R,3S)-3-amino-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
CID 124685790
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 77091258
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
trans-(1S,3S)-3-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124685000
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55966797
trans-(1R,3R)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686974
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686979

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide (CID 124685973) is cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CCC[C@@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is OLFMYMHKMIBOLE-WCQYABFASA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-21(15(22)11-6-4-7-13(20)9-11)10-12-5-2-3-8-14(12)23-16(17,18)19/h2-3,5,8,11,13H,4,6-7,9-10,20H2,1H3/t11-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 124685973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).