[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol

C20H20FNO2 — CID 111382379

IUPAC[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol
SMILESCc1cc(F)ccc1-c1ccc(CNCc2ccccc2CO)o1
InChIInChI=1S/C20H20FNO2/c1-14-10-17(21)6-8-19(14)20-9-7-18(24-20)12-22-11-15-4-2-3-5-16(15)13-23/h2-10,22-23H,11-13H2,1H3
InChIKeyLLSMQYHWACOEIH-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.18
Rot. Bonds6

About [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol

[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol (PubChem CID 111382379) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol
PubChem CID111382379
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol
SMILESCc1cc(F)ccc1-c1ccc(CNCc2ccccc2CO)o1
InChIInChI=1S/C20H20FNO2/c1-14-10-17(21)6-8-19(14)20-9-7-18(24-20)12-22-11-15-4-2-3-5-16(15)13-23/h2-10,22-23H,11-13H2,1H3
InChIKeyLLSMQYHWACOEIH-UHFFFAOYSA-N
XLogP4.18
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
CID 119134619
5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol
CID 111448827
[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol
CID 99620226
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 86960006
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
[5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol
CID 68516021
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline
CID 119033407
[2-[[(4-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 110906091
[5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol
CID 64578780
(2R)-2-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 99796579

Frequently Asked Questions

What is the IUPAC name of [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol (CID 111382379) is [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol is Cc1cc(F)ccc1-c1ccc(CNCc2ccccc2CO)o1.
What is the InChIKey of [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol?
The InChIKey is LLSMQYHWACOEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14-10-17(21)6-8-19(14)20-9-7-18(24-20)12-22-11-15-4-2-3-5-16(15)13-23/h2-10,22-23H,11-13H2,1H3.
What are the key properties of [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol?
[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol has a molecular weight of 325.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 111382379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).