N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine

C15H22F2N2 — CID 16783993

IUPACN-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-19(12-5-3-2-4-6-12)15(10-18)11-7-8-13(16)14(17)9-11/h7-9,12,15H,2-6,10,18H2,1H3
InChIKeyKKDXQZXOJWRPEW-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.23
Rot. Bonds4

About N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine

N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 16783993) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
PubChem CID16783993
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-19(12-5-3-2-4-6-12)15(10-18)11-7-8-13(16)14(17)9-11/h7-9,12,15H,2-6,10,18H2,1H3
InChIKeyKKDXQZXOJWRPEW-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43266968
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610904
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
1-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
N-methyl-N-(1-methylpiperidin-4-yl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63050917
N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096530

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine (CID 16783993) is N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine is CN(C1CCCCC1)C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is KKDXQZXOJWRPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19(12-5-3-2-4-6-12)15(10-18)11-7-8-13(16)14(17)9-11/h7-9,12,15H,2-6,10,18H2,1H3.
What are the key properties of N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine?
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 268.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 16783993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).