1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine

C11H17FN2 — CID 60788942

IUPAC1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCCC(C)N(C)c1cccc(F)c1N
InChIInChI=1S/C11H17FN2/c1-4-8(2)14(3)10-7-5-6-9(12)11(10)13/h5-8H,4,13H2,1-3H3
InChIKeySVWOKJGLKMORIW-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.64
Rot. Bonds3

About 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine

1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine (PubChem CID 60788942) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
PubChem CID60788942
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCCC(C)N(C)c1cccc(F)c1N
InChIInChI=1S/C11H17FN2/c1-4-8(2)14(3)10-7-5-6-9(12)11(10)13/h5-8H,4,13H2,1-3H3
InChIKeySVWOKJGLKMORIW-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[butan-2-yl(methyl)amino]benzonitrile
CID 104716290
3-fluoro-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,2-diamine
CID 79483525
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine
CID 60789812
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
CID 63369402
2-[(1S)-1-aminoethyl]-3-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188889
2-(1-aminopropyl)-6-fluoroaniline
CID 55282936
1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127036
2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol
CID 104551156
3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
CID 115127029
2-[butan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 62649994
1-(2-amino-3-fluoro-N-methylanilino)-2-methylpropan-2-ol
CID 79380492

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine (CID 60788942) is 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine is CCC(C)N(C)c1cccc(F)c1N.
What is the InChIKey of 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine?
The InChIKey is SVWOKJGLKMORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-4-8(2)14(3)10-7-5-6-9(12)11(10)13/h5-8H,4,13H2,1-3H3.
What are the key properties of 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine?
1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 60788942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).