1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine

C13H19FN2 — CID 61413397

IUPAC1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
SMILESCN(Cc1ccc(F)cc1)C1CCCC1N
InChIInChI=1S/C13H19FN2/c1-16(13-4-2-3-12(13)15)9-10-5-7-11(14)8-6-10/h5-8,12-13H,2-4,9,15H2,1H3
InChIKeyINXGRXJRZXURCY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.14
Rot. Bonds3

About 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine

1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine (PubChem CID 61413397) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
PubChem CID61413397
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
SMILESCN(Cc1ccc(F)cc1)C1CCCC1N
InChIInChI=1S/C13H19FN2/c1-16(13-4-2-3-12(13)15)9-10-5-7-11(14)8-6-10/h5-8,12-13H,2-4,9,15H2,1H3
InChIKeyINXGRXJRZXURCY-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine (CID 61413397) is 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine is CN(Cc1ccc(F)cc1)C1CCCC1N.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine?
The InChIKey is INXGRXJRZXURCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(13-4-2-3-12(13)15)9-10-5-7-11(14)8-6-10/h5-8,12-13H,2-4,9,15H2,1H3.
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine?
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine has a molecular weight of 222.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine is sourced from PubChem (CID 61413397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).