2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol

C10H14Cl2N2O — CID 67566267

IUPAC2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O/c1-10(2,14)9(15)5-3-6(11)8(13)7(12)4-5/h3-4,9,15H,13-14H2,1-2H3
InChIKeyJORLZIPFFZUKDR-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.35
Rot. Bonds2

About 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol

2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol (PubChem CID 67566267) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol
PubChem CID67566267
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O/c1-10(2,14)9(15)5-3-6(11)8(13)7(12)4-5/h3-4,9,15H,13-14H2,1-2H3
InChIKeyJORLZIPFFZUKDR-UHFFFAOYSA-N
XLogP2.35
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol (CID 67566267) is 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol is CC(C)(N)C(O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol?
The InChIKey is JORLZIPFFZUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-10(2,14)9(15)5-3-6(11)8(13)7(12)4-5/h3-4,9,15H,13-14H2,1-2H3.
What are the key properties of 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol?
2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol has a molecular weight of 249.14 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 67566267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).