3-N-butan-2-yl-4-fluorobenzene-1,3-diamine

C10H15FN2 — CID 79677016

IUPAC3-N-butan-2-yl-4-fluorobenzene-1,3-diamine
SMILESCCC(C)Nc1cc(N)ccc1F
InChIInChI=1S/C10H15FN2/c1-3-7(2)13-10-6-8(12)4-5-9(10)11/h4-7,13H,3,12H2,1-2H3
InChIKeyGVDOWYRUDYXOSZ-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.62
Rot. Bonds3

About 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine

3-N-butan-2-yl-4-fluorobenzene-1,3-diamine (PubChem CID 79677016) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-4-fluorobenzene-1,3-diamine
PubChem CID79677016
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name3-N-butan-2-yl-4-fluorobenzene-1,3-diamine
SMILESCCC(C)Nc1cc(N)ccc1F
InChIInChI=1S/C10H15FN2/c1-3-7(2)13-10-6-8(12)4-5-9(10)11/h4-7,13H,3,12H2,1-2H3
InChIKeyGVDOWYRUDYXOSZ-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine
CID 115506451
1-N-butan-2-yl-4-fluorobenzene-1,3-diamine
CID 79678033
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
2-fluoro-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,4-diamine
CID 54952869
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001
3-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylbenzene-1,3-diamine
CID 55140908
N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295369
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
CID 16778555

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine?
The IUPAC name of 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine (CID 79677016) is 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine is CCC(C)Nc1cc(N)ccc1F.
What is the InChIKey of 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine?
The InChIKey is GVDOWYRUDYXOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-3-7(2)13-10-6-8(12)4-5-9(10)11/h4-7,13H,3,12H2,1-2H3.
What are the key properties of 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine?
3-N-butan-2-yl-4-fluorobenzene-1,3-diamine has a molecular weight of 182.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-4-fluorobenzene-1,3-diamine is sourced from PubChem (CID 79677016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).