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

C12H17Cl2NO — CID 83924872

IUPAC1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-2-8(5-12(16)7-15)9-3-10(13)6-11(14)4-9/h3-4,6,8,12,16H,2,5,7,15H2,1H3
InChIKeyZJAVIPAXEYHSAM-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.20
Rot. Bonds5

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

1-amino-4-(3,5-dichlorophenyl)hexan-2-ol (PubChem CID 83924872) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-amino-4-(3,5-dichlorophenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
PubChem CID83924872
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-2-8(5-12(16)7-15)9-3-10(13)6-11(14)4-9/h3-4,6,8,12,16H,2,5,7,15H2,1H3
InChIKeyZJAVIPAXEYHSAM-UHFFFAOYSA-N
XLogP3.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dichlorophenyl)hexane-1,2-diol
CID 83924877
1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
CID 83928692
1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990
4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol
CID 83920884
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364
1-amino-4-(2,3,6-trichlorophenyl)hexan-2-ol
CID 83925195
4-(3,5-dimethylphenyl)hexane-1,2-diol
CID 83922430
1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
CID 83931690
1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol
CID 83927251
1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
CID 83942504

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,5-dichlorophenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(3,5-dichlorophenyl)hexan-2-ol (CID 83924872) is 1-amino-4-(3,5-dichlorophenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(3,5-dichlorophenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(3,5-dichlorophenyl)hexan-2-ol is CCC(CC(O)CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-amino-4-(3,5-dichlorophenyl)hexan-2-ol?
The InChIKey is ZJAVIPAXEYHSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-2-8(5-12(16)7-15)9-3-10(13)6-11(14)4-9/h3-4,6,8,12,16H,2,5,7,15H2,1H3.
What are the key properties of 1-amino-4-(3,5-dichlorophenyl)hexan-2-ol?
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol has a molecular weight of 262.18 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,5-dichlorophenyl)hexan-2-ol is sourced from PubChem (CID 83924872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).