1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol

C14H22ClNO2 — CID 83933326

IUPAC1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
SMILESCCOc1ccc(Cl)cc1C(CC)CC(O)CN
InChIInChI=1S/C14H22ClNO2/c1-3-10(7-12(17)9-16)13-8-11(15)5-6-14(13)18-4-2/h5-6,8,10,12,17H,3-4,7,9,16H2,1-2H3
InChIKeyDBUOFOSTYSPIKJ-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.94
Rot. Bonds7

About 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol

1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol (PubChem CID 83933326) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
PubChem CID83933326
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
SMILESCCOc1ccc(Cl)cc1C(CC)CC(O)CN
InChIInChI=1S/C14H22ClNO2/c1-3-10(7-12(17)9-16)13-8-11(15)5-6-14(13)18-4-2/h5-6,8,10,12,17H,3-4,7,9,16H2,1-2H3
InChIKeyDBUOFOSTYSPIKJ-UHFFFAOYSA-N
XLogP2.94
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-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

1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
CID 83933716
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
CID 83933222
1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
CID 83933454
4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
CID 83933329
1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626
1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
CID 83942504
2-[2-(5-chloro-2-ethoxyphenyl)butyl]-3-ethyloxirane
CID 83933316
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
CID 83942544

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol (CID 83933326) is 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol is CCOc1ccc(Cl)cc1C(CC)CC(O)CN.
What is the InChIKey of 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol?
The InChIKey is DBUOFOSTYSPIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-10(7-12(17)9-16)13-8-11(15)5-6-14(13)18-4-2/h5-6,8,10,12,17H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol?
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol is sourced from PubChem (CID 83933326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).