(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C20H22FNO4 — CID 93164063

IUPAC(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C20H22FNO4/c21-17-7-5-16(6-8-17)11-22(13-19-3-1-9-25-19)12-18(23)14-24-15-20-4-2-10-26-20/h1-10,18,23H,11-15H2/t18-/m1/s1
InChIKeyNSABIPWJHZYAEG-GOSISDBHSA-N
MW359.40 g/mol
LogP3.59
Rot. Bonds10

About (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 93164063) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID93164063
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C20H22FNO4/c21-17-7-5-16(6-8-17)11-22(13-19-3-1-9-25-19)12-18(23)14-24-15-20-4-2-10-26-20/h1-10,18,23H,11-15H2/t18-/m1/s1
InChIKeyNSABIPWJHZYAEG-GOSISDBHSA-N
XLogP3.59
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007562
(2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164009
1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007950
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160750
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
(2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164737
(2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129423157
(2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
CID 93164886
1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 46006706
1-[benzyl(furan-2-ylmethyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55346175
(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160909
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 93164063) is (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)Cc1ccco1.
What is the InChIKey of (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is NSABIPWJHZYAEG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FNO4/c21-17-7-5-16(6-8-17)11-22(13-19-3-1-9-25-19)12-18(23)14-24-15-20-4-2-10-26-20/h1-10,18,23H,11-15H2/t18-/m1/s1.
What are the key properties of (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 359.40 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 93164063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).