1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine

C16H25FN2 — CID 107520231

IUPAC1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCC(N(C)CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-12-4-3-5-15(10-12)19(2)11-16(18)13-6-8-14(17)9-7-13/h6-9,12,15-16H,3-5,10-11,18H2,1-2H3
InChIKeyJMUUTAFNARXOCB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine

1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 107520231) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
PubChem CID107520231
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCC(N(C)CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-12-4-3-5-15(10-12)19(2)11-16(18)13-6-8-14(17)9-7-13/h6-9,12,15-16H,3-5,10-11,18H2,1-2H3
InChIKeyJMUUTAFNARXOCB-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63469595
1-(4-fluorophenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61444270
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520485
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437159
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 107521653
1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene
CID 114773618
1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine
CID 55111836

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine (CID 107520231) is 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine is CC1CCCC(N(C)CC(N)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is JMUUTAFNARXOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-4-3-5-15(10-12)19(2)11-16(18)13-6-8-14(17)9-7-13/h6-9,12,15-16H,3-5,10-11,18H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine?
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 107520231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).