(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol

C19H27NO3 — CID 93162765

IUPAC(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
SMILESCCCN(Cc1ccccc1C)C[C@@H](O)COCc1ccco1
InChIInChI=1S/C19H27NO3/c1-3-10-20(12-17-8-5-4-7-16(17)2)13-18(21)14-22-15-19-9-6-11-23-19/h4-9,11,18,21H,3,10,12-15H2,1-2H3/t18-/m1/s1
InChIKeyOQESIAQNSUGIHA-GOSISDBHSA-N
MW317.43 g/mol
LogP3.38
Rot. Bonds10

About (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol

(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol (PubChem CID 93162765) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
PubChem CID93162765
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
SMILESCCCN(Cc1ccccc1C)C[C@@H](O)COCc1ccco1
InChIInChI=1S/C19H27NO3/c1-3-10-20(12-17-8-5-4-7-16(17)2)13-18(21)14-22-15-19-9-6-11-23-19/h4-9,11,18,21H,3,10,12-15H2,1-2H3/t18-/m1/s1
InChIKeyOQESIAQNSUGIHA-GOSISDBHSA-N
XLogP3.38
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 129424339
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
CID 93163051
(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93162553
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682220
1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol
CID 24714073
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
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-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759
(2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164737
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93161562

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol?
The IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol (CID 93162765) is (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol?
The canonical SMILES for (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol is CCCN(Cc1ccccc1C)C[C@@H](O)COCc1ccco1.
What is the InChIKey of (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol?
The InChIKey is OQESIAQNSUGIHA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-10-20(12-17-8-5-4-7-16(17)2)13-18(21)14-22-15-19-9-6-11-23-19/h4-9,11,18,21H,3,10,12-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol?
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol has a molecular weight of 317.43 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol is sourced from PubChem (CID 93162765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).