3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol

C15H18ClNO2 — CID 106690431

IUPAC3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2ccc(Cl)o2)cc1C
InChIInChI=1S/C15H18ClNO2/c1-9-3-4-11(7-10(9)2)12(8-17)15(18)13-5-6-14(16)19-13/h3-7,12,15,18H,8,17H2,1-2H3
InChIKeyXKIWUUKDZAIQJG-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol

3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 106690431) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
PubChem CID106690431
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2ccc(Cl)o2)cc1C
InChIInChI=1S/C15H18ClNO2/c1-9-3-4-11(7-10(9)2)12(8-17)15(18)13-5-6-14(16)19-13/h3-7,12,15,18H,8,17H2,1-2H3
InChIKeyXKIWUUKDZAIQJG-UHFFFAOYSA-N
XLogP3.33
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107100522
3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107981150
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679
1-amino-2-(3,4-dimethylphenyl)-4-ethylhexan-3-ol
CID 65188522
1-amino-2-(3,4-dimethylphenyl)-4,4-dimethylhexan-3-ol
CID 65189920
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027
1-amino-2-(3,4-dimethylphenyl)-5-ethoxypentan-3-ol
CID 65189536
3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 65187892
3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188524

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol (CID 106690431) is 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)c2ccc(Cl)o2)cc1C.
What is the InChIKey of 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is XKIWUUKDZAIQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-9-3-4-11(7-10(9)2)12(8-17)15(18)13-5-6-14(16)19-13/h3-7,12,15,18H,8,17H2,1-2H3.
What are the key properties of 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol?
3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 279.77 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 106690431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).