2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine

C12H19FN2O — CID 65379404

IUPAC2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
SMILESCOCCC(C)(CN)Nc1ccccc1F
InChIInChI=1S/C12H19FN2O/c1-12(9-14,7-8-16-2)15-11-6-4-3-5-10(11)13/h3-6,15H,7-9,14H2,1-2H3
InChIKeyINCXAEFVTLXHAG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.99
Rot. Bonds6

About 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine

2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine (PubChem CID 65379404) has the molecular formula C12H19FN2O and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
PubChem CID65379404
Molecular FormulaC12H19FN2O
Molecular Weight226.30 g/mol
Exact Mass226.15
IUPAC Name2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
SMILESCOCCC(C)(CN)Nc1ccccc1F
InChIInChI=1S/C12H19FN2O/c1-12(9-14,7-8-16-2)15-11-6-4-3-5-10(11)13/h3-6,15H,7-9,14H2,1-2H3
InChIKeyINCXAEFVTLXHAG-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 113490048
4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65376497
2-N-(2-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831551
2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65384910
4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 65378823
2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine
CID 65378984
6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine
CID 116535345
2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine
CID 65377999
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine (CID 65379404) is 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine is COCCC(C)(CN)Nc1ccccc1F.
What is the InChIKey of 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine?
The InChIKey is INCXAEFVTLXHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-12(9-14,7-8-16-2)15-11-6-4-3-5-10(11)13/h3-6,15H,7-9,14H2,1-2H3.
What are the key properties of 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine?
2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine has a molecular weight of 226.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 65379404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).