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

C22H24FNO3 — CID 93164886

IUPAC(2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CN(Cc1cccc(F)c1)Cc1ccco1
InChIInChI=1S/C22H24FNO3/c23-20-9-4-8-19(12-20)13-24(15-22-10-5-11-27-22)14-21(25)17-26-16-18-6-2-1-3-7-18/h1-12,21,25H,13-17H2/t21-/m1/s1
InChIKeyYTTMFWAIPDJWEK-OAQYLSRUSA-N
MW369.44 g/mol
LogP4.00
Rot. Bonds10

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

(2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 93164886) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is (2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID93164886
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name(2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CN(Cc1cccc(F)c1)Cc1ccco1
InChIInChI=1S/C22H24FNO3/c23-20-9-4-8-19(12-20)13-24(15-22-10-5-11-27-22)14-21(25)17-26-16-18-6-2-1-3-7-18/h1-12,21,25H,13-17H2/t21-/m1/s1
InChIKeyYTTMFWAIPDJWEK-OAQYLSRUSA-N
XLogP4.00
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007950
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
(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-(thiophen-2-ylmethoxy)propan-2-ol
CID 55346175
(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
CID 35767703
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135
(2S)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]hex-5-en-2-ol
CID 93164898
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 24714141
(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161997
1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713252
(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160909
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol (CID 93164886) is (2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol is O[C@@H](COCc1ccccc1)CN(Cc1cccc(F)c1)Cc1ccco1.
What is the InChIKey of (2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is YTTMFWAIPDJWEK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-20-9-4-8-19(12-20)13-24(15-22-10-5-11-27-22)14-21(25)17-26-16-18-6-2-1-3-7-18/h1-12,21,25H,13-17H2/t21-/m1/s1.
What are the key properties of (2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol?
(2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 369.44 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 93164886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).