N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine

C17H27FN2 — CID 115717758

IUPACN'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
SMILESCC(Cc1ccc(F)cc1)NCCN(C)C1CCCC1
InChIInChI=1S/C17H27FN2/c1-14(13-15-7-9-16(18)10-8-15)19-11-12-20(2)17-5-3-4-6-17/h7-10,14,17,19H,3-6,11-13H2,1-2H3
InChIKeyFHFIIBAKMHUIHH-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.22
Rot. Bonds7

About N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 115717758) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
PubChem CID115717758
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
SMILESCC(Cc1ccc(F)cc1)NCCN(C)C1CCCC1
InChIInChI=1S/C17H27FN2/c1-14(13-15-7-9-16(18)10-8-15)19-11-12-20(2)17-5-3-4-6-17/h7-10,14,17,19H,3-6,11-13H2,1-2H3
InChIKeyFHFIIBAKMHUIHH-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine
CID 103781637
2-N-[2-[cyclopentyl(methyl)amino]ethyl]propane-1,2-diamine
CID 103389932
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
CID 79008013
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
CID 113350762
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine (CID 115717758) is N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine is CC(Cc1ccc(F)cc1)NCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is FHFIIBAKMHUIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-14(13-15-7-9-16(18)10-8-15)19-11-12-20(2)17-5-3-4-6-17/h7-10,14,17,19H,3-6,11-13H2,1-2H3.
What are the key properties of N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 278.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115717758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).