(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

C24H29NO5 — CID 93160909

IUPAC(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOc1ccc(CN(Cc2ccccc2)C[C@@H](O)COCc2ccco2)cc1OC
InChIInChI=1S/C24H29NO5/c1-27-23-11-10-20(13-24(23)28-2)15-25(14-19-7-4-3-5-8-19)16-21(26)17-29-18-22-9-6-12-30-22/h3-13,21,26H,14-18H2,1-2H3/t21-/m1/s1
InChIKeyDGCYMEZZAINVCA-OAQYLSRUSA-N
MW411.50 g/mol
LogP3.88
Rot. Bonds12

About (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 93160909) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID93160909
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOc1ccc(CN(Cc2ccccc2)C[C@@H](O)COCc2ccco2)cc1OC
InChIInChI=1S/C24H29NO5/c1-27-23-11-10-20(13-24(23)28-2)15-25(14-19-7-4-3-5-8-19)16-21(26)17-29-18-22-9-6-12-30-22/h3-13,21,26H,14-18H2,1-2H3/t21-/m1/s1
InChIKeyDGCYMEZZAINVCA-OAQYLSRUSA-N
XLogP3.88
TPSA64.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160824
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46006854
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006888
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006821
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93160878
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46006868
1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol
CID 24714073
(2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164009

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 93160909) is (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is COc1ccc(CN(Cc2ccccc2)C[C@@H](O)COCc2ccco2)cc1OC.
What is the InChIKey of (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is DGCYMEZZAINVCA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29NO5/c1-27-23-11-10-20(13-24(23)28-2)15-25(14-19-7-4-3-5-8-19)16-21(26)17-29-18-22-9-6-12-30-22/h3-13,21,26H,14-18H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 411.50 g/mol, XLogP of 3.88, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 93160909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).