1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine

C14H19FN2 — CID 106166262

IUPAC1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(NCCC2=CCCC2)c(N)cc1F
InChIInChI=1S/C14H19FN2/c1-10-8-14(13(16)9-12(10)15)17-7-6-11-4-2-3-5-11/h4,8-9,17H,2-3,5-7,16H2,1H3
InChIKeyHAFYQDIAOIMTKV-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.63
Rot. Bonds4

About 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine

1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine (PubChem CID 106166262) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
PubChem CID106166262
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(NCCC2=CCCC2)c(N)cc1F
InChIInChI=1S/C14H19FN2/c1-10-8-14(13(16)9-12(10)15)17-7-6-11-4-2-3-5-11/h4,8-9,17H,2-3,5-7,16H2,1H3
InChIKeyHAFYQDIAOIMTKV-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.63
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

1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 114152744
2-N-[2-(cyclopenten-1-yl)ethyl]-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 106166218
4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine
CID 106166084
1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 107845952
4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
CID 103590041
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide
CID 114152757
4-fluoro-1-N-hexyl-5-methylbenzene-1,2-diamine
CID 103590438
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
3-(2-amino-4-fluoro-5-methylanilino)propanamide
CID 103589966
2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid
CID 106166435
ethyl 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]benzoate
CID 100620771
3-(2-amino-4-fluoro-5-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 103590704

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine (CID 106166262) is 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine is Cc1cc(NCCC2=CCCC2)c(N)cc1F.
What is the InChIKey of 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The InChIKey is HAFYQDIAOIMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-10-8-14(13(16)9-12(10)15)17-7-6-11-4-2-3-5-11/h4,8-9,17H,2-3,5-7,16H2,1H3.
What are the key properties of 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine?
1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine has a molecular weight of 234.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 106166262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).