1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine

C16H25FN2 — CID 104746052

IUPAC1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)CC(N)C1CCCC1
InChIInChI=1S/C16H25FN2/c1-12(14-9-5-6-10-15(14)17)19(2)11-16(18)13-7-3-4-8-13/h5-6,9-10,12-13,16H,3-4,7-8,11,18H2,1-2H3
InChIKeyQMBNNEXDQAQDIK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds5

About 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine

1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 104746052) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID104746052
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)CC(N)C1CCCC1
InChIInChI=1S/C16H25FN2/c1-12(14-9-5-6-10-15(14)17)19(2)11-16(18)13-7-3-4-8-13/h5-6,9-10,12-13,16H,3-4,7-8,11,18H2,1-2H3
InChIKeyQMBNNEXDQAQDIK-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985957
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
2-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013097

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (CID 104746052) is 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is CC(c1ccccc1F)N(C)CC(N)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is QMBNNEXDQAQDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(14-9-5-6-10-15(14)17)19(2)11-16(18)13-7-3-4-8-13/h5-6,9-10,12-13,16H,3-4,7-8,11,18H2,1-2H3.
What are the key properties of 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104746052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).