3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol

C12H20N2O — CID 115358124

IUPAC3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCc1ccc(NCC(C)(C)CO)cc1N
InChIInChI=1S/C12H20N2O/c1-9-4-5-10(6-11(9)13)14-7-12(2,3)8-15/h4-6,14-15H,7-8,13H2,1-3H3
InChIKeyRMOREWIQHHAZDO-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.01
Rot. Bonds4

About 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol

3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol (PubChem CID 115358124) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol
PubChem CID115358124
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCc1ccc(NCC(C)(C)CO)cc1N
InChIInChI=1S/C12H20N2O/c1-9-4-5-10(6-11(9)13)14-7-12(2,3)8-15/h4-6,14-15H,7-8,13H2,1-3H3
InChIKeyRMOREWIQHHAZDO-UHFFFAOYSA-N
XLogP2.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 58748362
4-(4-amino-3-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140683
2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol
CID 115135171
5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol
CID 106141231
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylbenzoic acid
CID 115363246
3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol
CID 106750959
3-(4-bromo-3,5-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 107571895
4-methyl-1-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142252
3-[(5-amino-3-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 104535524
3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol
CID 23104306
3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414174
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol (CID 115358124) is 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol is Cc1ccc(NCC(C)(C)CO)cc1N.
What is the InChIKey of 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is RMOREWIQHHAZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-4-5-10(6-11(9)13)14-7-12(2,3)8-15/h4-6,14-15H,7-8,13H2,1-3H3.
What are the key properties of 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol?
3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115358124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).