N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline

C18H29FN2 — CID 64735056

IUPACN-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(CC1C(C)CC(C)CC1NC)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-5-21(18-9-7-6-8-16(18)19)12-15-14(3)10-13(2)11-17(15)20-4/h6-9,13-15,17,20H,5,10-12H2,1-4H3
InChIKeyRWPCDODGFVCAOO-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.92
Rot. Bonds5

About N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline

N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline (PubChem CID 64735056) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline
PubChem CID64735056
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(CC1C(C)CC(C)CC1NC)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-5-21(18-9-7-6-8-16(18)19)12-15-14(3)10-13(2)11-17(15)20-4/h6-9,13-15,17,20H,5,10-12H2,1-4H3
InChIKeyRWPCDODGFVCAOO-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737227
N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline
CID 106741025
N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
CID 64735427
N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
CID 63483418
N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
CID 64737201
5-[(N-ethyl-2-fluoroanilino)methyl]pyrrolidin-3-ol
CID 66056957
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-fluoroaniline
CID 79315604
2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191408
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
3-[(N-ethyl-2-fluoroanilino)methyl]oxan-4-one
CID 103057811
2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine
CID 64735347
2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752698

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline (CID 64735056) is N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline is CCN(CC1C(C)CC(C)CC1NC)c1ccccc1F.
What is the InChIKey of N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline?
The InChIKey is RWPCDODGFVCAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-21(18-9-7-6-8-16(18)19)12-15-14(3)10-13(2)11-17(15)20-4/h6-9,13-15,17,20H,5,10-12H2,1-4H3.
What are the key properties of N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline?
N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline has a molecular weight of 292.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 64735056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).