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

C12H20N2O — CID 23104306

IUPAC3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCc1cc(N)ccc1NCC(C)(C)CO
InChIInChI=1S/C12H20N2O/c1-9-6-10(13)4-5-11(9)14-7-12(2,3)8-15/h4-6,14-15H,7-8,13H2,1-3H3
InChIKeyCUYAAKUPANMCQB-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.01
Rot. Bonds4

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

3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol (PubChem CID 23104306) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol
PubChem CID23104306
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCc1cc(N)ccc1NCC(C)(C)CO
InChIInChI=1S/C12H20N2O/c1-9-6-10(13)4-5-11(9)14-7-12(2,3)8-15/h4-6,14-15H,7-8,13H2,1-3H3
InChIKeyCUYAAKUPANMCQB-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

1-N-[3-(4-amino-2-methylanilino)-2,2-dimethylpropyl]-2-methylbenzene-1,4-diamine;tetrahydrochloride
CID 69433542
3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol
CID 106167522
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
methyl 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-methylbenzoate
CID 81410818
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81413768
2-(4-amino-2-methylanilino)-2-phenylpropan-1-ol
CID 105057718
3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115358124
2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
CID 115360857
3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
CID 66169047
1-N-[3-(4-amino-2-methylanilino)-2,2-dimethylpropyl]-2-methylbenzene-1,4-diamine;2,2-dimethyl-N,N'-bis(2-methyl-4-nitrophenyl)propane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;1-fluoro-2-methyl-4-nitrobenzene;tetrahydrochloride
CID 157294589
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol (CID 23104306) is 3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol is Cc1cc(N)ccc1NCC(C)(C)CO.
What is the InChIKey of 3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is CUYAAKUPANMCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-6-10(13)4-5-11(9)14-7-12(2,3)8-15/h4-6,14-15H,7-8,13H2,1-3H3.
What are the key properties of 3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol?
3-(4-amino-2-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-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 23104306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).