N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine

C15H23FN2 — CID 107519652

IUPACN'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C15H23FN2/c1-2-18(14-8-3-4-9-14)11-15(17)12-6-5-7-13(16)10-12/h5-7,10,14-15H,2-4,8-9,11,17H2,1H3
InChIKeyGQJOFWFKOMYCNB-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds5

About N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine

N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine (PubChem CID 107519652) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
PubChem CID107519652
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C15H23FN2/c1-2-18(14-8-3-4-9-14)11-15(17)12-6-5-7-13(16)10-12/h5-7,10,14-15H,2-4,8-9,11,17H2,1H3
InChIKeyGQJOFWFKOMYCNB-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
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
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308548
1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 43541045
1-(1,3-benzodioxol-5-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 43264160
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 103780486
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 107521321

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine (CID 107519652) is N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine is CCN(CC(N)c1cccc(F)c1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine?
The InChIKey is GQJOFWFKOMYCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-18(14-8-3-4-9-14)11-15(17)12-6-5-7-13(16)10-12/h5-7,10,14-15H,2-4,8-9,11,17H2,1H3.
What are the key properties of N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107519652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).