4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine

C12H19FN2O — CID 81058264

IUPAC4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
SMILESCC(C)OCCN(C)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2O/c1-9(2)16-7-6-15(3)12-8-10(13)4-5-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyGDXHXVPZZNWCRB-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.27
Rot. Bonds5

About 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine

4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine (PubChem CID 81058264) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
PubChem CID81058264
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
SMILESCC(C)OCCN(C)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2O/c1-9(2)16-7-6-15(3)12-8-10(13)4-5-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyGDXHXVPZZNWCRB-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[methyl(2-propan-2-yloxyethyl)amino]benzonitrile
CID 104712165
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059061
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
4-chloro-5-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 114089060
2-amino-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052971
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81059481
2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81056751
2-bromo-1-N-methyl-1-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 81059262
2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
CID 135325242
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 62378502
2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 113334402
4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63206874

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine (CID 81058264) is 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine is CC(C)OCCN(C)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine?
The InChIKey is GDXHXVPZZNWCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(2)16-7-6-15(3)12-8-10(13)4-5-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3.
What are the key properties of 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine?
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 81058264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).