2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol

C11H16Cl2N2O — CID 106890781

IUPAC2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol
SMILESCN(c1c(Cl)cc(N)cc1Cl)C(C)(C)CO
InChIInChI=1S/C11H16Cl2N2O/c1-11(2,6-16)15(3)10-8(12)4-7(14)5-9(10)13/h4-5,16H,6,14H2,1-3H3
InChIKeySLAHFAWLYRMXKW-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol

2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol (PubChem CID 106890781) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol
PubChem CID106890781
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol
SMILESCN(c1c(Cl)cc(N)cc1Cl)C(C)(C)CO
InChIInChI=1S/C11H16Cl2N2O/c1-11(2,6-16)15(3)10-8(12)4-7(14)5-9(10)13/h4-5,16H,6,14H2,1-3H3
InChIKeySLAHFAWLYRMXKW-UHFFFAOYSA-N
XLogP2.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-3-chloro-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzoate
CID 107196709
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
2-(4-amino-2,6-dichloro-N-propylanilino)ethanol
CID 106890073
3-chloro-N'-hydroxy-4-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzenecarboximidamide
CID 113475743
2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
CID 63981395
2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 106890203
3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
CID 66169047
2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
CID 113475430
ethyl 5-amino-3-chloro-2-[3-hydroxypropyl(methyl)amino]benzoate
CID 114230681
3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
CID 106890819
2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine
CID 106890065
(2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 10445397

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol (CID 106890781) is 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol is CN(c1c(Cl)cc(N)cc1Cl)C(C)(C)CO.
What is the InChIKey of 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol?
The InChIKey is SLAHFAWLYRMXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-11(2,6-16)15(3)10-8(12)4-7(14)5-9(10)13/h4-5,16H,6,14H2,1-3H3.
What are the key properties of 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol?
2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol has a molecular weight of 263.17 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 106890781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).