6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine

C18H29FN2 — CID 79843106

IUPAC6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC(c1ccccc1F)N(C)CC1CCCC(C)(C)C1N
InChIInChI=1S/C18H29FN2/c1-13(15-9-5-6-10-16(15)19)21(4)12-14-8-7-11-18(2,3)17(14)20/h5-6,9-10,13-14,17H,7-8,11-12,20H2,1-4H3
InChIKeyFXRDWZCYGDZARS-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.97
Rot. Bonds4

About 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine

6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79843106) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79843106
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC(c1ccccc1F)N(C)CC1CCCC(C)(C)C1N
InChIInChI=1S/C18H29FN2/c1-13(15-9-5-6-10-16(15)19)21(4)12-14-8-7-11-18(2,3)17(14)20/h5-6,9-10,13-14,17H,7-8,11-12,20H2,1-4H3
InChIKeyFXRDWZCYGDZARS-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 79852664
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985957
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine
CID 66263079
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine
CID 66259151
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 102894513
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
N-[[1-(bromomethyl)cyclohexyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 65006736
5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865883
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62979551

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine (CID 79843106) is 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine is CC(c1ccccc1F)N(C)CC1CCCC(C)(C)C1N.
What is the InChIKey of 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is FXRDWZCYGDZARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-13(15-9-5-6-10-16(15)19)21(4)12-14-8-7-11-18(2,3)17(14)20/h5-6,9-10,13-14,17H,7-8,11-12,20H2,1-4H3.
What are the key properties of 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine?
6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79843106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).