N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline

C18H29FN2 — CID 79842644

IUPACN-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(CC1CCCC(C)(C)C1NC)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-5-21(16-10-6-9-15(19)12-16)13-14-8-7-11-18(2,3)17(14)20-4/h6,9-10,12,14,17,20H,5,7-8,11,13H2,1-4H3
InChIKeyUNZHCTMEDWZMIN-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.07
Rot. Bonds5

About N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline

N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline (PubChem CID 79842644) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound NameN-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline
PubChem CID79842644
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(CC1CCCC(C)(C)C1NC)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-5-21(16-10-6-9-15(19)12-16)13-14-8-7-11-18(2,3)17(14)20-4/h6,9-10,12,14,17,20H,5,7-8,11,13H2,1-4H3
InChIKeyUNZHCTMEDWZMIN-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethyl-3-methylaniline
CID 79867078
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline
CID 79865267
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866448
N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline
CID 63493667
5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one
CID 79865978
N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55074213
6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2-trimethylcyclohexan-1-amine
CID 79852225
N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline
CID 63493479
N,2,2-trimethyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79849107
N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
CID 63494586
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
CID 65003098
N,2,2-trimethyl-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79852306

Frequently Asked Questions

What is the IUPAC name of N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline?
The IUPAC name of N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline (CID 79842644) is N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline.
What is the SMILES notation for N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline?
The canonical SMILES for N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline is CCN(CC1CCCC(C)(C)C1NC)c1cccc(F)c1.
What is the InChIKey of N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline?
The InChIKey is UNZHCTMEDWZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-21(16-10-6-9-15(19)12-16)13-14-8-7-11-18(2,3)17(14)20-4/h6,9-10,12,14,17,20H,5,7-8,11,13H2,1-4H3.
What are the key properties of N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline?
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline has a molecular weight of 292.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 79842644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).