3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine

C13H19FN2 — CID 81348443

IUPAC3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
SMILESC[C@H](NC1CCC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2/c1-9(10-2-4-11(14)5-3-10)16-13-7-6-12(15)8-13/h2-5,9,12-13,16H,6-8,15H2,1H3/t9-,12?,13?/m0/s1
InChIKeyXPNGIJPCJXQORO-ALXWSUNGSA-N
MW222.31 g/mol
LogP2.36
Rot. Bonds3

About 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine

3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine (PubChem CID 81348443) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
PubChem CID81348443
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
SMILESC[C@H](NC1CCC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2/c1-9(10-2-4-11(14)5-3-10)16-13-7-6-12(15)8-13/h2-5,9,12-13,16H,6-8,15H2,1H3/t9-,12?,13?/m0/s1
InChIKeyXPNGIJPCJXQORO-ALXWSUNGSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404
3-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentane-1,3-diamine
CID 79461227
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine
CID 79461883
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine (CID 81348443) is 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine is C[C@H](NC1CCC(N)C1)c1ccc(F)cc1.
What is the InChIKey of 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine?
The InChIKey is XPNGIJPCJXQORO-ALXWSUNGSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9(10-2-4-11(14)5-3-10)16-13-7-6-12(15)8-13/h2-5,9,12-13,16H,6-8,15H2,1H3/t9-,12?,13?/m0/s1.
What are the key properties of 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine?
3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine has a molecular weight of 222.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 81348443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).