N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine

C15H23FN2 — CID 55085371

IUPACN-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-18(15-9-5-6-13(16)12-15)11-10-17-14-7-3-2-4-8-14/h5-6,9,12,14,17H,2-4,7-8,10-11H2,1H3
InChIKeyYJDMLLLQDGQEJF-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.18
Rot. Bonds5

About N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine

N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 55085371) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID55085371
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-18(15-9-5-6-13(16)12-15)11-10-17-14-7-3-2-4-8-14/h5-6,9,12,14,17H,2-4,7-8,10-11H2,1H3
InChIKeyYJDMLLLQDGQEJF-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 63504270
N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 115206849
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55089108
N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 62575307
N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554580
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62462333
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline
CID 116679881
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine (CID 55085371) is N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine is CN(CCNC1CCCCC1)c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is YJDMLLLQDGQEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(15-9-5-6-13(16)12-15)11-10-17-14-7-3-2-4-8-14/h5-6,9,12,14,17H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55085371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).