3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol

C15H17Cl2NO2 — CID 79083794

IUPAC3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H17Cl2NO2/c1-2-10-4-6-14(20-10)15(19)12(8-18)11-5-3-9(16)7-13(11)17/h3-7,12,15,19H,2,8,18H2,1H3
InChIKeyDNJLVVRWOOCGHB-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.92
Rot. Bonds5

About 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol

3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol (PubChem CID 79083794) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
PubChem CID79083794
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H17Cl2NO2/c1-2-10-4-6-14(20-10)15(19)12(8-18)11-5-3-9(16)7-13(11)17/h3-7,12,15,19H,2,8,18H2,1H3
InChIKeyDNJLVVRWOOCGHB-UHFFFAOYSA-N
XLogP3.92
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
CID 79086034
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808679
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799
2-(2,4-dichlorophenyl)-3-methylpentan-1-amine
CID 79446296
3-amino-2-(2,4-dichlorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65185608
3-amino-2-(2,4-dichlorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65185355
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 82783479

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol (CID 79083794) is 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol is CCc1ccc(C(O)C(CN)c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol?
The InChIKey is DNJLVVRWOOCGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-2-10-4-6-14(20-10)15(19)12(8-18)11-5-3-9(16)7-13(11)17/h3-7,12,15,19H,2,8,18H2,1H3.
What are the key properties of 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol?
3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol has a molecular weight of 314.21 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol is sourced from PubChem (CID 79083794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).