(2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol

C21H29NO4 — CID 26005270

IUPAC(2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol
SMILESCCOc1ccc(OC[C@H](O)CN(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1
InChIInChI=1S/C21H29NO4/c1-4-24-17-5-7-18(8-6-17)25-14-16(23)12-22(3)13-19-9-10-21(26-19)20-11-15(20)2/h5-10,15-16,20,23H,4,11-14H2,1-3H3/t15-,16+,20+/m0/s1
InChIKeyYAYSSCCEOUOSQC-RZQQEMMASA-N
MW359.47 g/mol
LogP3.67
Rot. Bonds10

About (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol

(2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol (PubChem CID 26005270) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol
PubChem CID26005270
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name(2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol
SMILESCCOc1ccc(OC[C@H](O)CN(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1
InChIInChI=1S/C21H29NO4/c1-4-24-17-5-7-18(8-6-17)25-14-16(23)12-22(3)13-19-9-10-21(26-19)20-11-15(20)2/h5-10,15-16,20,23H,4,11-14H2,1-3H3/t15-,16+,20+/m0/s1
InChIKeyYAYSSCCEOUOSQC-RZQQEMMASA-N
XLogP3.67
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[3-[(2R)-2-hydroxy-3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propoxy]phenyl]ethanone
CID 35858343
(E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide
CID 55672770
(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616
1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 111544151
1-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 46798100
2-amino-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 54869738
N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
CID 40882664
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
3,3,3-trifluoro-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001598
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 60717848
4-butoxy-N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244218
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 53363425

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol (CID 26005270) is (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol is CCOc1ccc(OC[C@H](O)CN(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1.
What is the InChIKey of (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol?
The InChIKey is YAYSSCCEOUOSQC-RZQQEMMASA-N. The full InChI is InChI=1S/C21H29NO4/c1-4-24-17-5-7-18(8-6-17)25-14-16(23)12-22(3)13-19-9-10-21(26-19)20-11-15(20)2/h5-10,15-16,20,23H,4,11-14H2,1-3H3/t15-,16+,20+/m0/s1.
What are the key properties of (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol?
(2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol has a molecular weight of 359.47 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 26005270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).