2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol

C14H25FN2O — CID 164594407

IUPAC2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(C)(C)O.Cc1ccc(N)c(F)c1N
InChIInChI=1S/C7H9FN2.C7H16O/c1-4-2-3-5(9)6(8)7(4)10;1-6(2,3)7(4,5)8/h2-3H,9-10H2,1H3;8H,1-5H3
InChIKeyDSPNQQUTBASTJL-UHFFFAOYSA-N
MW256.36 g/mol
LogP3.10
Rot. Bonds

About 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol

2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol (PubChem CID 164594407) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol
PubChem CID164594407
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(C)(C)O.Cc1ccc(N)c(F)c1N
InChIInChI=1S/C7H9FN2.C7H16O/c1-4-2-3-5(9)6(8)7(4)10;1-6(2,3)7(4,5)8/h2-3H,9-10H2,1H3;8H,1-5H3
InChIKeyDSPNQQUTBASTJL-UHFFFAOYSA-N
XLogP3.10
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3,6-dimethylaniline
CID 67968158
2,3-difluoro-4-methylaniline;ethane
CID 145013768
3-fluorobenzene-1,2,4-triamine
CID 89010456
3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline
CID 176942392
3-amino-2-fluoro-6-methylbenzonitrile
CID 83410294
2-amino-3-fluoro-6-methylphenol
CID 131278270
methyl 3-amino-2-fluoro-6-methylbenzoate
CID 84768925
3-amino-4-methylbenzene-1,2-diol
CID 54091209
(E)-1-(2-amino-6-fluoro-3-methylphenyl)ethene-1,2-diamine
CID 163404085
1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine
CID 84773717
3-amino-2-fluorophenol;ethane
CID 155586440
(2-amino-3,6-dimethylphenyl)methanol
CID 57370658

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol?
The IUPAC name of 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol (CID 164594407) is 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol is CC(C)(C)C(C)(C)O.Cc1ccc(N)c(F)c1N.
What is the InChIKey of 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol?
The InChIKey is DSPNQQUTBASTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2.C7H16O/c1-4-2-3-5(9)6(8)7(4)10;1-6(2,3)7(4,5)8/h2-3H,9-10H2,1H3;8H,1-5H3.
What are the key properties of 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol?
2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol has a molecular weight of 256.36 g/mol, XLogP of 3.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 164594407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).