2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol

C14H22ClNO — CID 83931550

IUPAC2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol
SMILESCc1cc(Cl)c(C(C)CC(O)C(C)N)cc1C
InChIInChI=1S/C14H22ClNO/c1-8-5-12(13(15)6-9(8)2)10(3)7-14(17)11(4)16/h5-6,10-11,14,17H,7,16H2,1-4H3
InChIKeyOYWRYOFTQUOESZ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.16
Rot. Bonds4

About 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol

2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol (PubChem CID 83931550) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol.

Molecular Properties

Compound Name2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol
PubChem CID83931550
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol
SMILESCc1cc(Cl)c(C(C)CC(O)C(C)N)cc1C
InChIInChI=1S/C14H22ClNO/c1-8-5-12(13(15)6-9(8)2)10(3)7-14(17)11(4)16/h5-6,10-11,14,17H,7,16H2,1-4H3
InChIKeyOYWRYOFTQUOESZ-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-chloro-4,5-dimethylphenyl)hexane-2,3-diol
CID 83931560
2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
CID 83943240
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
CID 83928281
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 84796743
2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol
CID 83936683
1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
CID 115484477
5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
CID 83931688
5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
CID 83922311
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
CID 83934134
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol?
The IUPAC name of 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol (CID 83931550) is 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol.
What is the SMILES notation for 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol?
The canonical SMILES for 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol is Cc1cc(Cl)c(C(C)CC(O)C(C)N)cc1C.
What is the InChIKey of 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol?
The InChIKey is OYWRYOFTQUOESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-8-5-12(13(15)6-9(8)2)10(3)7-14(17)11(4)16/h5-6,10-11,14,17H,7,16H2,1-4H3.
What are the key properties of 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol?
2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol has a molecular weight of 255.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol is sourced from PubChem (CID 83931550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).