3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol

C13H19Cl2NO — CID 103904031

IUPAC3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCC(NCC(C)(C)CO)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-9(16-7-13(2,3)8-17)10-5-4-6-11(14)12(10)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyWHNBEYUSRBUIEC-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.66
Rot. Bonds5

About 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol

3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol (PubChem CID 103904031) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
PubChem CID103904031
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCC(NCC(C)(C)CO)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-9(16-7-13(2,3)8-17)10-5-4-6-11(14)12(10)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyWHNBEYUSRBUIEC-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902046
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
3-(2,6-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81411469
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 115851288
3-[2-[1-(2,3-dichlorophenyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781904
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
CID 103914729
1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 103784583
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 81411975

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol (CID 103904031) is 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol is CC(NCC(C)(C)CO)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is WHNBEYUSRBUIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-9(16-7-13(2,3)8-17)10-5-4-6-11(14)12(10)15/h4-6,9,16-17H,7-8H2,1-3H3.
What are the key properties of 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol?
3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 276.21 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 103904031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).