N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine

C15H22F2N2 — CID 115524228

IUPACN-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H22F2N2/c1-19(13-4-2-3-5-13)14(10-18)11-6-8-12(9-7-11)15(16)17/h6-9,13-15H,2-5,10,18H2,1H3
InChIKeyIOFYOVZZTUMUEY-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.50
Rot. Bonds5

About N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine

N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine (PubChem CID 115524228) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
PubChem CID115524228
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H22F2N2/c1-19(13-4-2-3-5-13)14(10-18)11-6-8-12(9-7-11)15(16)17/h6-9,13-15H,2-5,10,18H2,1H3
InChIKeyIOFYOVZZTUMUEY-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 113328796
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43264750
1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43266968
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61438895
1-(4-fluorophenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61444270
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 61439510
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-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine (CID 115524228) is N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine is CN(C1CCCC1)C(CN)c1ccc(C(F)F)cc1.
What is the InChIKey of N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
The InChIKey is IOFYOVZZTUMUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19(13-4-2-3-5-13)14(10-18)11-6-8-12(9-7-11)15(16)17/h6-9,13-15H,2-5,10,18H2,1H3.
What are the key properties of N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine has a molecular weight of 268.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 115524228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).