1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

C15H17F2NO2 — CID 109482142

IUPAC1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C15H17F2NO2/c1-10-3-4-14(20-10)15(2,19)9-18-8-11-5-12(16)7-13(17)6-11/h3-7,18-19H,8-9H2,1-2H3
InChIKeyHCYYNNOZDIQASO-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.86
Rot. Bonds5

About 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 109482142) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID109482142
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C15H17F2NO2/c1-10-3-4-14(20-10)15(2,19)9-18-8-11-5-12(16)7-13(17)6-11/h3-7,18-19H,8-9H2,1-2H3
InChIKeyHCYYNNOZDIQASO-UHFFFAOYSA-N
XLogP2.86
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468379
2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 111468367
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468364
1-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468543
2-(5-methylfuran-2-yl)-1-[(5-nitrothiophen-3-yl)methylamino]propan-2-ol
CID 111468398
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585
1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468482
1-[(4-but-3-ynoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468426
1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468456
2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol
CID 111468470
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 109482142) is 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc(C(C)(O)CNCc2cc(F)cc(F)c2)o1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is HCYYNNOZDIQASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c1-10-3-4-14(20-10)15(2,19)9-18-8-11-5-12(16)7-13(17)6-11/h3-7,18-19H,8-9H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 281.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 109482142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).