1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine

C14H20F2N2 — CID 114136547

IUPAC1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCCCC1CCCC1
InChIInChI=1S/C14H20F2N2/c15-11-8-12(16)14(17)13(9-11)18-7-3-6-10-4-1-2-5-10/h8-10,18H,1-7,17H2
InChIKeyHJTOHDFXQRLUPJ-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.93
Rot. Bonds5

About 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine

1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine (PubChem CID 114136547) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
PubChem CID114136547
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCCCC1CCCC1
InChIInChI=1S/C14H20F2N2/c15-11-8-12(16)14(17)13(9-11)18-7-3-6-10-4-1-2-5-10/h8-10,18H,1-7,17H2
InChIKeyHJTOHDFXQRLUPJ-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline
CID 106012836
3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
CID 130503893
3,5-difluoro-1-N-[2-(oxolan-3-yl)ethyl]benzene-1,2-diamine
CID 114129599
2-amino-6-(3-cyclopentylpropylamino)-3-fluorobenzoic acid
CID 106003908
3,5-difluoro-1-N-(4-methylpentyl)benzene-1,2-diamine
CID 115506964
3,5-difluoro-1-N-[(1-methylpiperidin-3-yl)methyl]benzene-1,2-diamine
CID 113325246
4-(3-cyclopentylpropylamino)-3,5-difluorobenzenecarbothioamide
CID 106010280
5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine
CID 106007183
1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine
CID 60919358
3,5-difluoro-1-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 114187357
1-N-(2,2-dicyclopropylethyl)-3,5-difluorobenzene-1,2-diamine
CID 113325330
2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol
CID 115507102

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine (CID 114136547) is 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine is Nc1c(F)cc(F)cc1NCCCC1CCCC1.
What is the InChIKey of 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine?
The InChIKey is HJTOHDFXQRLUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-11-8-12(16)14(17)13(9-11)18-7-3-6-10-4-1-2-5-10/h8-10,18H,1-7,17H2.
What are the key properties of 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine?
1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine is sourced from PubChem (CID 114136547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).