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

C13H19Cl2NO2 — CID 83928692

IUPAC1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO2/c1-3-8(4-10(17)7-16)9-5-11(14)13(18-2)12(15)6-9/h5-6,8,10,17H,3-4,7,16H2,1-2H3
InChIKeyPYGSIXRBLSQCAZ-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.21
Rot. Bonds6

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

1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol (PubChem CID 83928692) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
PubChem CID83928692
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO2/c1-3-8(4-10(17)7-16)9-5-11(14)13(18-2)12(15)6-9/h5-6,8,10,17H,3-4,7,16H2,1-2H3
InChIKeyPYGSIXRBLSQCAZ-UHFFFAOYSA-N
XLogP3.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
CID 83942504
1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
CID 83925659
1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
CID 83928675
1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene
CID 83928669
4-(5-chloro-2,3,4-trimethoxyphenyl)hexane-1,2-diol
CID 83925663
1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol
CID 83943002
1-amino-4-(2,3,6-trichlorophenyl)hexan-2-ol
CID 83925195
1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990
1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
CID 82550774
4-(3,5-dichlorophenyl)hexane-1,2-diol
CID 83924877

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol (CID 83928692) is 1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol is CCC(CC(O)CN)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of 1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol?
The InChIKey is PYGSIXRBLSQCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-3-8(4-10(17)7-16)9-5-11(14)13(18-2)12(15)6-9/h5-6,8,10,17H,3-4,7,16H2,1-2H3.
What are the key properties of 1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol?
1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol has a molecular weight of 292.21 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol is sourced from PubChem (CID 83928692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).