(2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol

C19H21FN2O2 — CID 68312771

IUPAC(2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)NCC1=C(C=CC(=N1)C2=CC3=C(C=C2)OC=C3)F
InChIInChI=1S/C19H21FN2O2/c1-12(2)18(11-23)21-10-17-15(20)4-5-16(22-17)13-3-6-19-14(9-13)7-8-24-19/h3-9,12,18,21,23H,10-11H2,1-2H3/t18-/m0/s1
InChIKeyNKRCFTMBBAWMAX-SFHVURJKSA-N
MW328.40 g/mol
LogP3.10
Rot. Bonds6

About (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol

(2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol (PubChem CID 68312771) has the molecular formula C19H21FN2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
PubChem CID68312771
Molecular FormulaC19H21FN2O2
Molecular Weight328.40 g/mol
Exact Mass328.16
IUPAC Name(2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)NCC1=C(C=CC(=N1)C2=CC3=C(C=C2)OC=C3)F
InChIInChI=1S/C19H21FN2O2/c1-12(2)18(11-23)21-10-17-15(20)4-5-16(22-17)13-3-6-19-14(9-13)7-8-24-19/h3-9,12,18,21,23H,10-11H2,1-2H3/t18-/m0/s1
InChIKeyNKRCFTMBBAWMAX-SFHVURJKSA-N
XLogP3.10
TPSA58.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity396

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-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-(7-Benzofuranyl)-4-((5-(4-fluorophenyl)-1H-pyrrol-2-yl)methyl)piperazine
CID 208917
Pelecopan
CID 139560984
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[(2-propan-2-yl-1-benzofuran-5-yl)methyl]urea
CID 168296486
2-[6-Fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide
CID 70690404
(3S)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide
CID 53299845
(2R)-2-[[3-fluoro-6-(furan-3-yl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312334
6-(benzofuran-5-yl)-N-(4-(trifluoromethyl)phenyl)picolinamide
CID 118414174
2-[2-[[7-[2-(Aminomethyl)-4-pyridinyl]-4-fluoro-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139559810
Ethyl 2-[2-[[7-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-3-fluorophenyl]acetate
CID 139559961
Ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-4-fluoro-1-benzofuran-5-yl]methoxy]-4-fluorophenyl]acetate
CID 139560255
2-[2-[[7-[2-(Aminomethyl)-4-pyridinyl]-4-fluoro-1-benzofuran-5-yl]methoxy]-5-fluorophenyl]acetic acid
CID 139560260
2-[2-[[7-[2-(Aminomethyl)-3-fluoro-4-pyridinyl]-4-fluoro-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid
CID 139560262

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol (CID 68312771) is (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol is CC(C)[C@H](CO)NCC1=C(C=CC(=N1)C2=CC3=C(C=C2)OC=C3)F.
What is the InChIKey of (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol?
The InChIKey is NKRCFTMBBAWMAX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12(2)18(11-23)21-10-17-15(20)4-5-16(22-17)13-3-6-19-14(9-13)7-8-24-19/h3-9,12,18,21,23H,10-11H2,1-2H3/t18-/m0/s1.
What are the key properties of (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol?
(2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol has a molecular weight of 328.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(1-benzofuran-5-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 68312771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).