1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine

C11H17FN2 — CID 61167849

IUPAC1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
SMILESCC(C)(C)CNc1cccc(F)c1N
InChIInChI=1S/C11H17FN2/c1-11(2,3)7-14-9-6-4-5-8(12)10(9)13/h4-6,14H,7,13H2,1-3H3
InChIKeyZWWVFOIINKMCDH-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.87
Rot. Bonds2

About 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine

1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine (PubChem CID 61167849) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
PubChem CID61167849
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
SMILESCC(C)(C)CNc1cccc(F)c1N
InChIInChI=1S/C11H17FN2/c1-11(2,3)7-14-9-6-4-5-8(12)10(9)13/h4-6,14H,7,13H2,1-3H3
InChIKeyZWWVFOIINKMCDH-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.87
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

3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
CID 104834204
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
1-N-butyl-3-fluorobenzene-1,2-diamine
CID 60783282
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756
3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine
CID 115127179
1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
CID 5250269
1-N-(3,3-dimethylbutan-2-yl)-3-fluorobenzene-1,2-diamine
CID 104827436
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 73013426
3-fluoro-1-N-(5-methylhexyl)benzene-1,2-diamine
CID 115324654
[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol
CID 115454133
1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115127074

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine (CID 61167849) is 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine is CC(C)(C)CNc1cccc(F)c1N.
What is the InChIKey of 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is ZWWVFOIINKMCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-11(2,3)7-14-9-6-4-5-8(12)10(9)13/h4-6,14H,7,13H2,1-3H3.
What are the key properties of 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine?
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 61167849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).