2-(3,4-diaminophenyl)-2-methylpropan-1-ol

C10H16N2O — CID 144721361

IUPAC2-(3,4-diaminophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(N)c(N)c1
InChIInChI=1S/C10H16N2O/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6,11-12H2,1-2H3
InChIKeyHCJNHLKZULKGKU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.12
Rot. Bonds2

About 2-(3,4-diaminophenyl)-2-methylpropan-1-ol

2-(3,4-diaminophenyl)-2-methylpropan-1-ol (PubChem CID 144721361) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3,4-diaminophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3,4-diaminophenyl)-2-methylpropan-1-ol
PubChem CID144721361
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(3,4-diaminophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(N)c(N)c1
InChIInChI=1S/C10H16N2O/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6,11-12H2,1-2H3
InChIKeyHCJNHLKZULKGKU-UHFFFAOYSA-N
XLogP1.12
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.12
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-(3,4-diaminophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3,4-diaminophenyl)-2-methylpropan-1-ol (CID 144721361) is 2-(3,4-diaminophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3,4-diaminophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3,4-diaminophenyl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc(N)c(N)c1.
What is the InChIKey of 2-(3,4-diaminophenyl)-2-methylpropan-1-ol?
The InChIKey is HCJNHLKZULKGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6,11-12H2,1-2H3.
What are the key properties of 2-(3,4-diaminophenyl)-2-methylpropan-1-ol?
2-(3,4-diaminophenyl)-2-methylpropan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diaminophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 144721361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).