1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol

C13H20ClNO2 — CID 83942504

IUPAC1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1ccc(OC)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-3-9(6-10(16)8-15)12-5-4-11(17-2)7-13(12)14/h4-5,7,9-10,16H,3,6,8,15H2,1-2H3
InChIKeyILVBKOHLCDLVSL-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.55
Rot. Bonds6

About 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol

1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol (PubChem CID 83942504) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
PubChem CID83942504
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1ccc(OC)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-3-9(6-10(16)8-15)12-5-4-11(17-2)7-13(12)14/h4-5,7,9-10,16H,3,6,8,15H2,1-2H3
InChIKeyILVBKOHLCDLVSL-UHFFFAOYSA-N
XLogP2.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-(2-chloro-4-methoxyphenyl)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

2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 116964713
1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
CID 83928692
1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol
CID 11667808
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
1-amino-4-(2,3,6-trichlorophenyl)hexan-2-ol
CID 83925195
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol (CID 83942504) is 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol is CCC(CC(O)CN)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol?
The InChIKey is ILVBKOHLCDLVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-9(6-10(16)8-15)12-5-4-11(17-2)7-13(12)14/h4-5,7,9-10,16H,3,6,8,15H2,1-2H3.
What are the key properties of 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol?
1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol is sourced from PubChem (CID 83942504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).