N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine

C15H23FN2 — CID 16786425

IUPACN'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC(N)c1ccccc1F)C1CCCCC1
InChIInChI=1S/C15H23FN2/c1-18(12-7-3-2-4-8-12)11-15(17)13-9-5-6-10-14(13)16/h5-6,9-10,12,15H,2-4,7-8,11,17H2,1H3
InChIKeyIWNJEHGLVCFGMW-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds4

About N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine

N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 16786425) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID16786425
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC(N)c1ccccc1F)C1CCCCC1
InChIInChI=1S/C15H23FN2/c1-18(12-7-3-2-4-8-12)11-15(17)13-9-5-6-10-14(13)16/h5-6,9-10,12,15H,2-4,7-8,11,17H2,1H3
InChIKeyIWNJEHGLVCFGMW-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
CID 114058365
N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 16790532
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine (CID 16786425) is N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine is CN(CC(N)c1ccccc1F)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is IWNJEHGLVCFGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(12-7-3-2-4-8-12)11-15(17)13-9-5-6-10-14(13)16/h5-6,9-10,12,15H,2-4,7-8,11,17H2,1H3.
What are the key properties of N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 16786425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).