2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine

C14H18F2N2 — CID 114008342

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NCCC1=CCCCC1
InChIInChI=1S/C14H18F2N2/c15-11-6-7-12(17)14(13(11)16)18-9-8-10-4-2-1-3-5-10/h4,6-7,18H,1-3,5,8-9,17H2
InChIKeyZVFNYLZDSYABOM-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.85
Rot. Bonds4

About 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine

2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine (PubChem CID 114008342) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
PubChem CID114008342
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NCCC1=CCCCC1
InChIInChI=1S/C14H18F2N2/c15-11-6-7-12(17)14(13(11)16)18-9-8-10-4-2-1-3-5-10/h4,6-7,18H,1-3,5,8-9,17H2
InChIKeyZVFNYLZDSYABOM-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 107846020
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 62531809
4-[2-(cyclohexen-1-yl)ethylamino]-2,3-difluorobenzoic acid
CID 79838078
1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106166262
4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
CID 126811874
3,4-difluoro-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242145
N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine
CID 106193803
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275
2-(4-amino-3-fluorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79130783
3-[2-(cyclohexen-1-yl)ethylamino]-4-[4-(4-fluorophenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
CID 53370658
2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile
CID 114152749

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine (CID 114008342) is 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine is Nc1ccc(F)c(F)c1NCCC1=CCCCC1.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine?
The InChIKey is ZVFNYLZDSYABOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c15-11-6-7-12(17)14(13(11)16)18-9-8-10-4-2-1-3-5-10/h4,6-7,18H,1-3,5,8-9,17H2.
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine?
2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine has a molecular weight of 252.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 114008342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).