1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol

C14H21Cl2NO — CID 65190573

IUPAC1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
SMILESCC(C)C(C)C(O)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-8(2)9(3)14(18)11(7-17)10-4-5-12(15)13(16)6-10/h4-6,8-9,11,14,18H,7,17H2,1-3H3
InChIKeyIJFFPQCIQRMBCS-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.69
Rot. Bonds5

About 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol

1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol (PubChem CID 65190573) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
PubChem CID65190573
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
SMILESCC(C)C(C)C(O)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-8(2)9(3)14(18)11(7-17)10-4-5-12(15)13(16)6-10/h4-6,8-9,11,14,18H,7,17H2,1-3H3
InChIKeyIJFFPQCIQRMBCS-UHFFFAOYSA-N
XLogP3.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(3,4-dichlorophenyl)-4-methylsulfonylpentan-3-ol
CID 104522693
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
CID 65190542
2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 82082656
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65190263
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
CID 80523424
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol?
The IUPAC name of 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol (CID 65190573) is 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol?
The canonical SMILES for 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol is CC(C)C(C)C(O)C(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol?
The InChIKey is IJFFPQCIQRMBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-8(2)9(3)14(18)11(7-17)10-4-5-12(15)13(16)6-10/h4-6,8-9,11,14,18H,7,17H2,1-3H3.
What are the key properties of 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol?
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol has a molecular weight of 290.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol is sourced from PubChem (CID 65190573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).