5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol

C18H24FNO2 — CID 111448827

IUPAC5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol
SMILESCc1cc(F)ccc1-c1ccc(CNCC(C)CC(C)O)o1
InChIInChI=1S/C18H24FNO2/c1-12(8-14(3)21)10-20-11-16-5-7-18(22-16)17-6-4-15(19)9-13(17)2/h4-7,9,12,14,20-21H,8,10-11H2,1-3H3
InChIKeyFWZAXGOLWKVNSX-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.89
Rot. Bonds7

About 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol

5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol (PubChem CID 111448827) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol
PubChem CID111448827
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol
SMILESCc1cc(F)ccc1-c1ccc(CNCC(C)CC(C)O)o1
InChIInChI=1S/C18H24FNO2/c1-12(8-14(3)21)10-20-11-16-5-7-18(22-16)17-6-4-15(19)9-13(17)2/h4-7,9,12,14,20-21H,8,10-11H2,1-3H3
InChIKeyFWZAXGOLWKVNSX-UHFFFAOYSA-N
XLogP3.89
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol 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
[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol
CID 111382379
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-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline
CID 119033407
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
(2R)-2-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 99796579
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol
CID 99620226
2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol
CID 110905965
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol?
The IUPAC name of 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol (CID 111448827) is 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol?
The canonical SMILES for 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol is Cc1cc(F)ccc1-c1ccc(CNCC(C)CC(C)O)o1.
What is the InChIKey of 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol?
The InChIKey is FWZAXGOLWKVNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-12(8-14(3)21)10-20-11-16-5-7-18(22-16)17-6-4-15(19)9-13(17)2/h4-7,9,12,14,20-21H,8,10-11H2,1-3H3.
What are the key properties of 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol?
5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol has a molecular weight of 305.39 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 111448827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).