3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide

C16H21F3N2O2 — CID 119717344

IUPAC3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C16H21F3N2O2/c1-21(15(22)12-3-2-4-13(20)9-12)10-11-5-7-14(8-6-11)23-16(17,18)19/h5-8,12-13H,2-4,9-10,20H2,1H3
InChIKeyHDZDTZJMBLZJKC-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.06
Rot. Bonds4

About 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide

3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119717344) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119717344
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C16H21F3N2O2/c1-21(15(22)12-3-2-4-13(20)9-12)10-11-5-7-14(8-6-11)23-16(17,18)19/h5-8,12-13H,2-4,9-10,20H2,1H3
InChIKeyHDZDTZJMBLZJKC-UHFFFAOYSA-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-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 124685973
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119689736
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045904
3-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119704996
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 120786862
1-N,1-N-diethyl-4-N-methyl-4-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55682821
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 63043755
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119741679

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide (CID 119717344) is 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is HDZDTZJMBLZJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-21(15(22)12-3-2-4-13(20)9-12)10-11-5-7-14(8-6-11)23-16(17,18)19/h5-8,12-13H,2-4,9-10,20H2,1H3.
What are the key properties of 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
3-amino-N-methyl-N-[[4-(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 3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119717344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).