1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

C15H18FNO2 — CID 111468365

IUPAC1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2ccc(F)cc2)o1
InChIInChI=1S/C15H18FNO2/c1-11-3-8-14(19-11)15(2,18)10-17-9-12-4-6-13(16)7-5-12/h3-8,17-18H,9-10H2,1-2H3
InChIKeyJGCJFMXEKAUIOZ-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.72
Rot. Bonds5

About 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 111468365) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID111468365
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2ccc(F)cc2)o1
InChIInChI=1S/C15H18FNO2/c1-11-3-8-14(19-11)15(2,18)10-17-9-12-4-6-13(16)7-5-12/h3-8,17-18H,9-10H2,1-2H3
InChIKeyJGCJFMXEKAUIOZ-UHFFFAOYSA-N
XLogP2.72
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 109482142
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-but-3-ynoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468426
1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468379
1-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468543
1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468456
1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468482
N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 14599999
2-(5-methylfuran-2-yl)-1-[(5-nitrothiophen-3-yl)methylamino]propan-2-ol
CID 111468398
2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol
CID 111468470
N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867746

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 111468365) is 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc(C(C)(O)CNCc2ccc(F)cc2)o1.
What is the InChIKey of 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is JGCJFMXEKAUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11-3-8-14(19-11)15(2,18)10-17-9-12-4-6-13(16)7-5-12/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 263.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 111468365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).