[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol

C18H17FN2O2 — CID 99620226

IUPAC[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol
SMILESCc1cc(F)ccc1-c1ccc(CNc2cnccc2CO)o1
InChIInChI=1S/C18H17FN2O2/c1-12-8-14(19)2-4-16(12)18-5-3-15(23-18)9-21-17-10-20-7-6-13(17)11-22/h2-8,10,21-22H,9,11H2,1H3
InChIKeySAYRRMMBENJYPI-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.89
Rot. Bonds5

About [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol

[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol (PubChem CID 99620226) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol
PubChem CID99620226
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol
SMILESCc1cc(F)ccc1-c1ccc(CNc2cnccc2CO)o1
InChIInChI=1S/C18H17FN2O2/c1-12-8-14(19)2-4-16(12)18-5-3-15(23-18)9-21-17-10-20-7-6-13(17)11-22/h2-8,10,21-22H,9,11H2,1H3
InChIKeySAYRRMMBENJYPI-UHFFFAOYSA-N
XLogP3.89
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[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
[3-[(2-fluoro-5-methylphenyl)methylamino]-4-pyridinyl]methanol
CID 75436066
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
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline
CID 119033407
[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol
CID 71845475
1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 119042698
[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol
CID 115749542
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
(2R)-2-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 99796579
2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 86960006

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol?
The IUPAC name of [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol (CID 99620226) is [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol is Cc1cc(F)ccc1-c1ccc(CNc2cnccc2CO)o1.
What is the InChIKey of [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol?
The InChIKey is SAYRRMMBENJYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-8-14(19)2-4-16(12)18-5-3-15(23-18)9-21-17-10-20-7-6-13(17)11-22/h2-8,10,21-22H,9,11H2,1H3.
What are the key properties of [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol?
[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol has a molecular weight of 312.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 99620226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).