(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol

C19H26FNO3 — CID 93164298

IUPAC(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COC[C@H](O)CN(Cc1ccco1)Cc1ccccc1F
InChIInChI=1S/C19H26FNO3/c1-15(2)13-23-14-17(22)11-21(12-18-7-5-9-24-18)10-16-6-3-4-8-19(16)20/h3-9,15,17,22H,10-14H2,1-2H3/t17-/m1/s1
InChIKeyQQVBSJIQZXPINS-QGZVFWFLSA-N
MW335.42 g/mol
LogP3.45
Rot. Bonds10

About (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol

(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 93164298) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID93164298
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COC[C@H](O)CN(Cc1ccco1)Cc1ccccc1F
InChIInChI=1S/C19H26FNO3/c1-15(2)13-23-14-17(22)11-21(12-18-7-5-9-24-18)10-16-6-3-4-8-19(16)20/h3-9,15,17,22H,10-14H2,1-2H3/t17-/m1/s1
InChIKeyQQVBSJIQZXPINS-QGZVFWFLSA-N
XLogP3.45
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[furan-2-ylmethyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161246
(2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93164162
(2S)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]hex-5-en-2-ol
CID 93164306
1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46006854
(2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164184
2-[[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-(furan-2-ylmethyl)amino]methyl]phenol
CID 7872390
(2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164792
1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007333
(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164063
1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713252
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164559
(2S)-1-[(2-fluorophenyl)methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93177193

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol (CID 93164298) is (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COC[C@H](O)CN(Cc1ccco1)Cc1ccccc1F.
What is the InChIKey of (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is QQVBSJIQZXPINS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-15(2)13-23-14-17(22)11-21(12-18-7-5-9-24-18)10-16-6-3-4-8-19(16)20/h3-9,15,17,22H,10-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol?
(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 335.42 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 93164298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).