3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine

C13H19FN2 — CID 79461214

IUPAC3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
SMILESNC1CCC(NCCc2cccc(F)c2)C1
InChIInChI=1S/C13H19FN2/c14-11-3-1-2-10(8-11)6-7-16-13-5-4-12(15)9-13/h1-3,8,12-13,16H,4-7,9,15H2
InChIKeyMKWNLSCMWXFXON-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.84
Rot. Bonds4

About 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine

3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine (PubChem CID 79461214) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
PubChem CID79461214
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
SMILESNC1CCC(NCCc2cccc(F)c2)C1
InChIInChI=1S/C13H19FN2/c14-11-3-1-2-10(8-11)6-7-16-13-5-4-12(15)9-13/h1-3,8,12-13,16H,4-7,9,15H2
InChIKeyMKWNLSCMWXFXON-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086258
1-N-(2-phenylethyl)cyclohexane-1,3-diamine
CID 79459302
3-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43635646
N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309344
N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine
CID 65070357
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81301040
3-N-[2-(furan-2-yl)ethyl]cyclopentane-1,3-diamine
CID 79462115
3-ethyl-N-(2-phenylethyl)cyclopentan-1-amine
CID 64500794
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine (CID 79461214) is 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine is NC1CCC(NCCc2cccc(F)c2)C1.
What is the InChIKey of 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine?
The InChIKey is MKWNLSCMWXFXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-11-3-1-2-10(8-11)6-7-16-13-5-4-12(15)9-13/h1-3,8,12-13,16H,4-7,9,15H2.
What are the key properties of 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine?
3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine has a molecular weight of 222.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79461214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).