4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine

C15H24F2N2O2 — CID 62542388

IUPAC4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
SMILESCOCCNC(C)(CN)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H24F2N2O2/c1-15(11-18,19-9-10-20-2)8-7-12-3-5-13(6-4-12)21-14(16)17/h3-6,14,19H,7-11,18H2,1-2H3
InChIKeyYCXOFUYZJUFIOI-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.17
Rot. Bonds10

About 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine

4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine (PubChem CID 62542388) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
PubChem CID62542388
Molecular FormulaC15H24F2N2O2
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
SMILESCOCCNC(C)(CN)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H24F2N2O2/c1-15(11-18,19-9-10-20-2)8-7-12-3-5-13(6-4-12)21-14(16)17/h3-6,14,19H,7-11,18H2,1-2H3
InChIKeyYCXOFUYZJUFIOI-UHFFFAOYSA-N
XLogP2.17
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-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-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine
CID 62072234
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
CID 61055180
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
CID 65234748
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
CID 65236992
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43185277
methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine (CID 62542388) is 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine is COCCNC(C)(CN)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
The InChIKey is YCXOFUYZJUFIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2/c1-15(11-18,19-9-10-20-2)8-7-12-3-5-13(6-4-12)21-14(16)17/h3-6,14,19H,7-11,18H2,1-2H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine has a molecular weight of 302.37 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 62542388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).