N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine

C15H22F2N2 — CID 107519650

IUPACN'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(F)c(F)c1)C1CCCC1
InChIInChI=1S/C15H22F2N2/c1-2-19(12-5-3-4-6-12)10-15(18)11-7-8-13(16)14(17)9-11/h7-9,12,15H,2-6,10,18H2,1H3
InChIKeyUPLQCCPQLJCNPL-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.23
Rot. Bonds5

About N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine

N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine (PubChem CID 107519650) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
PubChem CID107519650
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(F)c(F)c1)C1CCCC1
InChIInChI=1S/C15H22F2N2/c1-2-19(12-5-3-4-6-12)10-15(18)11-7-8-13(16)14(17)9-11/h7-9,12,15H,2-6,10,18H2,1H3
InChIKeyUPLQCCPQLJCNPL-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 110898003
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43541052
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43541063
1-(1,3-benzodioxol-5-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 43264160
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 43103531
2-[cyclopentyl-[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 110899482
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine (CID 107519650) is N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine is CCN(CC(N)c1ccc(F)c(F)c1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine?
The InChIKey is UPLQCCPQLJCNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-2-19(12-5-3-4-6-12)10-15(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'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine?
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine has a molecular weight of 268.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 107519650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).