3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol

C13H19Cl2NO — CID 115722751

IUPAC3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
SMILESCC(NC(C)C(C)CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-8(7-17)9(2)16-10(3)11-4-5-12(14)13(15)6-11/h4-6,8-10,16-17H,7H2,1-3H3
InChIKeyOODUSWLEYMGCCF-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.66
Rot. Bonds5

About 3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol

3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol (PubChem CID 115722751) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
PubChem CID115722751
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
SMILESCC(NC(C)C(C)CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-8(7-17)9(2)16-10(3)11-4-5-12(14)13(15)6-11/h4-6,8-10,16-17H,7H2,1-3H3
InChIKeyOODUSWLEYMGCCF-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

3-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115879364
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103785111
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol
CID 102976626
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-1-ol
CID 113247027
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
CID 43108567
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 82082656

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol (CID 115722751) is 3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol is CC(NC(C)C(C)CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol?
The InChIKey is OODUSWLEYMGCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-8(7-17)9(2)16-10(3)11-4-5-12(14)13(15)6-11/h4-6,8-10,16-17H,7H2,1-3H3.
What are the key properties of 3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol?
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-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-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 115722751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).