1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol

C10H13Cl2NO — CID 116942155

IUPAC1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-10(2,14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,14H,13H2,1-2H3
InChIKeyJLKBDHSQFUJBKX-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.76
Rot. Bonds2

About 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol

1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol (PubChem CID 116942155) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
PubChem CID116942155
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-10(2,14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,14H,13H2,1-2H3
InChIKeyJLKBDHSQFUJBKX-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 93268532
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
CID 130042351
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
(1S,3R)-3-amino-1-(3,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237440
(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
CID 161443517
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130974244
(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 131172460
4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
CID 65297365
1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103024800
(1R)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171249553

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol (CID 116942155) is 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol is CC(C)(O)C(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol?
The InChIKey is JLKBDHSQFUJBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-10(2,14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,14H,13H2,1-2H3.
What are the key properties of 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol?
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol has a molecular weight of 234.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 116942155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).