1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene

C24H27F7N2O — CID 143595826

IUPAC1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene
SMILESCC(N=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CNC[C@@H]1CCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN.C10H7F6NO/c1-16-10-11-3-2-4-13(9-11)12-5-7-14(15)8-6-12;1-5(17-18)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h5-8,11,13,16H,2-4,9-10H2,1H3;2-5H,1H3/t11-,13?;/m1./s1
InChIKeyMVVDOJMTTOZGFV-ZRMPQGGQSA-N
MW492.48 g/mol
LogP7.87
Rot. Bonds5

About 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene

1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene (PubChem CID 143595826) has the molecular formula C24H27F7N2O and a molecular weight of 492.48 g/mol. Its IUPAC name is 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene
PubChem CID143595826
Molecular FormulaC24H27F7N2O
Molecular Weight492.48 g/mol
Exact Mass492.20
IUPAC Name1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene
SMILESCC(N=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CNC[C@@H]1CCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN.C10H7F6NO/c1-16-10-11-3-2-4-13(9-11)12-5-7-14(15)8-6-12;1-5(17-18)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h5-8,11,13,16H,2-4,9-10H2,1H3;2-5H,1H3/t11-,13?;/m1./s1
InChIKeyMVVDOJMTTOZGFV-ZRMPQGGQSA-N
XLogP7.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.48
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-fluorophenyl)cyclohexyl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
CID 145486468
[3,5-bis(trifluoromethyl)phenyl]methanol;3-[[(1S,3R)-3-(4-fluorophenyl)cyclohexyl]methylamino]cyclopent-2-en-1-one
CID 143393931
(E)-5-[[(1S,3R)-3-(4-fluorophenyl)cyclohexyl]methyl-methylamino]hept-4-en-3-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
CID 143085506
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 61204886
methyl (1S,2S,3S)-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]amino]-2-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 22885777
methyl (1R,2R,3S)-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethylamino]-2-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 22885643
1-cyclohexyl-4-fluorobenzene;N,N-dimethylacetamide;ethane;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
CID 143439120
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentane-1-carboxylic acid
CID 10226723
methyl 2-[[3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-methylamino]acetate
CID 18404451
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
1-[(3S)-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-2-iodoethanone
CID 89146080

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene (CID 143595826) is 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene is CC(N=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CNC[C@@H]1CCCC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is MVVDOJMTTOZGFV-ZRMPQGGQSA-N. The full InChI is InChI=1S/C14H20FN.C10H7F6NO/c1-16-10-11-3-2-4-13(9-11)12-5-7-14(15)8-6-12;1-5(17-18)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h5-8,11,13,16H,2-4,9-10H2,1H3;2-5H,1H3/t11-,13?;/m1./s1.
What are the key properties of 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene?
1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 492.48 g/mol, XLogP of 7.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine;1-(1-nitrosoethyl)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 143595826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).