3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine

C14H17FN2O — CID 54968206

IUPAC3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
SMILESCC(CCc1ccco1)Nc1cccc(F)c1N
InChIInChI=1S/C14H17FN2O/c1-10(7-8-11-4-3-9-18-11)17-13-6-2-5-12(15)14(13)16/h2-6,9-10,17H,7-8,16H2,1H3
InChIKeyMOHNXGGHMDXOFB-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.43
Rot. Bonds5

About 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine

3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine (PubChem CID 54968206) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
PubChem CID54968206
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
SMILESCC(CCc1ccco1)Nc1cccc(F)c1N
InChIInChI=1S/C14H17FN2O/c1-10(7-8-11-4-3-9-18-11)17-13-6-2-5-12(15)14(13)16/h2-6,9-10,17H,7-8,16H2,1H3
InChIKeyMOHNXGGHMDXOFB-UHFFFAOYSA-N
XLogP3.43
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[4-(furan-2-yl)butan-2-ylamino]benzoic acid
CID 115545393
methyl 2-amino-3-[4-(furan-2-yl)butan-2-ylamino]benzoate
CID 115545394
4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107609511
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]-2-nitroaniline
CID 115507851
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004449
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
3-fluoro-5-[4-(furan-2-yl)butan-2-ylamino]-4-methylbenzonitrile
CID 43728448
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
methyl 4-fluoro-3-[4-(furan-2-yl)butan-2-ylamino]benzoate
CID 43684512
4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107787692

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine (CID 54968206) is 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine is CC(CCc1ccco1)Nc1cccc(F)c1N.
What is the InChIKey of 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine?
The InChIKey is MOHNXGGHMDXOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(7-8-11-4-3-9-18-11)17-13-6-2-5-12(15)14(13)16/h2-6,9-10,17H,7-8,16H2,1H3.
What are the key properties of 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine?
3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine has a molecular weight of 248.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine is sourced from PubChem (CID 54968206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).