1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol

C14H22ClNO4 — CID 83925659

IUPAC1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
SMILESCOc1c(Cl)cc(C(C)CC(O)CN)c(OC)c1OC
InChIInChI=1S/C14H22ClNO4/c1-8(5-9(17)7-16)10-6-11(15)13(19-3)14(20-4)12(10)18-2/h6,8-9,17H,5,7,16H2,1-4H3
InChIKeyYOOWRPANDUYNBT-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.18
Rot. Bonds7

About 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol

1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol (PubChem CID 83925659) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
PubChem CID83925659
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
SMILESCOc1c(Cl)cc(C(C)CC(O)CN)c(OC)c1OC
InChIInChI=1S/C14H22ClNO4/c1-8(5-9(17)7-16)10-6-11(15)13(19-3)14(20-4)12(10)18-2/h6,8-9,17H,5,7,16H2,1-4H3
InChIKeyYOOWRPANDUYNBT-UHFFFAOYSA-N
XLogP2.18
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
CID 83928692
4-(5-chloro-2,3,4-trimethoxyphenyl)hexane-1,2-diol
CID 83925663
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
CID 83928675
2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
CID 83930686
1-amino-4-(5-bromo-2,4-dimethoxyphenyl)pentan-2-ol
CID 83925936
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
CID 117307369

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol (CID 83925659) is 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol is COc1c(Cl)cc(C(C)CC(O)CN)c(OC)c1OC.
What is the InChIKey of 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol?
The InChIKey is YOOWRPANDUYNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO4/c1-8(5-9(17)7-16)10-6-11(15)13(19-3)14(20-4)12(10)18-2/h6,8-9,17H,5,7,16H2,1-4H3.
What are the key properties of 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol?
1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol has a molecular weight of 303.79 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol is sourced from PubChem (CID 83925659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).