1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol

C12H20ClN3O — CID 106141808

IUPAC1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1cccc(Cl)c1N
InChIInChI=1S/C12H20ClN3O/c1-12(17,8-16(2)3)7-15-10-6-4-5-9(13)11(10)14/h4-6,15,17H,7-8,14H2,1-3H3
InChIKeyWFKMUDYEVIGRIA-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.65
Rot. Bonds5

About 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol

1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106141808) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106141808
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1cccc(Cl)c1N
InChIInChI=1S/C12H20ClN3O/c1-12(17,8-16(2)3)7-15-10-6-4-5-9(13)11(10)14/h4-6,15,17H,7-8,14H2,1-3H3
InChIKeyWFKMUDYEVIGRIA-UHFFFAOYSA-N
XLogP1.65
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol
CID 104834636
2-chloro-6-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzonitrile
CID 106145676
3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
CID 104834204
1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106145464
3-chloro-1-N-(2-ethyl-2-methylsulfanylbutyl)benzene-1,2-diamine
CID 114115597
1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141719
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
1-N-tert-butyl-3-chlorobenzene-1,2-diamine
CID 68721117
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256
3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139493
1-(3-chloro-2-methylanilino)-2-methylbutan-2-ol
CID 114492530
3-chloro-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 104834817

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol (CID 106141808) is 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1cccc(Cl)c1N.
What is the InChIKey of 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is WFKMUDYEVIGRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-12(17,8-16(2)3)7-15-10-6-4-5-9(13)11(10)14/h4-6,15,17H,7-8,14H2,1-3H3.
What are the key properties of 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106141808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).