1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol

C11H16ClNO — CID 105467275

IUPAC1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cccc(Cl)c1N
InChIInChI=1S/C11H16ClNO/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13/h4-6,10,14H,13H2,1-3H3
InChIKeyICDSIOKFSVXGNN-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.00
Rot. Bonds1

About 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol

1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 105467275) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID105467275
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cccc(Cl)c1N
InChIInChI=1S/C11H16ClNO/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13/h4-6,10,14H,13H2,1-3H3
InChIKeyICDSIOKFSVXGNN-UHFFFAOYSA-N
XLogP3.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
CID 130043324
(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
2-chloro-6-propan-2-ylaniline
CID 18981698
2-chloro-6-(difluoromethyl)aniline
CID 84656251
1-(2-amino-3-chlorophenyl)butane-1,4-diol
CID 105469278
2-(2-amino-3-chlorophenyl)-5,5-dimethylhexanoic acid
CID 106987495
4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid
CID 105487348
1-(2,3-dichlorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63411078
(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247920
ethyl 2-(2-amino-3-chlorophenyl)butanoate
CID 106988100
2-(2-amino-3-chlorophenyl)-3-ethylpentanoic acid
CID 106987514
2-amino-3-chlorophenol
CID 19828962

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol (CID 105467275) is 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cccc(Cl)c1N.
What is the InChIKey of 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is ICDSIOKFSVXGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13/h4-6,10,14H,13H2,1-3H3.
What are the key properties of 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol?
1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 105467275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).