2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol

C11H15Cl2NO3 — CID 83941077

IUPAC2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol
SMILESCOc1c(Cl)cc(Cl)cc1C(O)C(N)CCO
InChIInChI=1S/C11H15Cl2NO3/c1-17-11-7(4-6(12)5-8(11)13)10(16)9(14)2-3-15/h4-5,9-10,15-16H,2-3,14H2,1H3
InChIKeyKUGDPNWHQFZICO-UHFFFAOYSA-N
MW280.15 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol

2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol (PubChem CID 83941077) has the molecular formula C11H15Cl2NO3 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol.

Molecular Properties

Compound Name2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol
PubChem CID83941077
Molecular FormulaC11H15Cl2NO3
Molecular Weight280.15 g/mol
Exact Mass279.04
IUPAC Name2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol
SMILESCOc1c(Cl)cc(Cl)cc1C(O)C(N)CCO
InChIInChI=1S/C11H15Cl2NO3/c1-17-11-7(4-6(12)5-8(11)13)10(16)9(14)2-3-15/h4-5,9-10,15-16H,2-3,14H2,1H3
InChIKeyKUGDPNWHQFZICO-UHFFFAOYSA-N
XLogP1.75
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diol
CID 83943166
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
2-amino-2-(3,5-dichloro-2-methoxyphenyl)ethanethiol
CID 116830511
1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol
CID 116830202
2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
CID 116964127
2-amino-1-(2-bromo-4,5-dimethoxyphenyl)butane-1,4-diol
CID 83943810
2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
CID 83933754
2,4-diamino-1-(2-chloro-4,5-dimethoxyphenyl)butan-1-ol
CID 83943587
2-amino-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-(methylamino)butan-1-ol
CID 83938839
(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
CID 130692934
3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83941084

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol?
The IUPAC name of 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol (CID 83941077) is 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol.
What is the SMILES notation for 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol?
The canonical SMILES for 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol is COc1c(Cl)cc(Cl)cc1C(O)C(N)CCO.
What is the InChIKey of 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol?
The InChIKey is KUGDPNWHQFZICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3/c1-17-11-7(4-6(12)5-8(11)13)10(16)9(14)2-3-15/h4-5,9-10,15-16H,2-3,14H2,1H3.
What are the key properties of 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol?
2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol has a molecular weight of 280.15 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol is sourced from PubChem (CID 83941077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).