N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine

C16H24F2N2 — CID 116789072

IUPACN'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC(F)(F)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H24F2N2/c1-20(15-9-5-6-10-15)12-11-19-13-16(17,18)14-7-3-2-4-8-14/h2-4,7-8,15,19H,5-6,9-13H2,1H3
InChIKeyFLLHNTOTPVZVTM-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.24
Rot. Bonds7

About N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine (PubChem CID 116789072) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine
PubChem CID116789072
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC(F)(F)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H24F2N2/c1-20(15-9-5-6-10-15)12-11-19-13-16(17,18)14-7-3-2-4-8-14/h2-4,7-8,15,19H,5-6,9-13H2,1H3
InChIKeyFLLHNTOTPVZVTM-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
CID 116789098
N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine
CID 59728996
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine
CID 114515675
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 113326351
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-phenylpropanamide
CID 63316114
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025076
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790557
N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
CID 63314496
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine (CID 116789072) is N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine is CN(CCNCC(F)(F)c1ccccc1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine?
The InChIKey is FLLHNTOTPVZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-20(15-9-5-6-10-15)12-11-19-13-16(17,18)14-7-3-2-4-8-14/h2-4,7-8,15,19H,5-6,9-13H2,1H3.
What are the key properties of N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine has a molecular weight of 282.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116789072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).