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

C19H27NO3 — CID 93163051

IUPAC(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
SMILESCCCN(Cc1cccc(C)c1)C[C@H](O)COCc1ccco1
InChIInChI=1S/C19H27NO3/c1-3-9-20(12-17-7-4-6-16(2)11-17)13-18(21)14-22-15-19-8-5-10-23-19/h4-8,10-11,18,21H,3,9,12-15H2,1-2H3/t18-/m0/s1
InChIKeyNCOBOKQPVURKHZ-SFHVURJKSA-N
MW317.43 g/mol
LogP3.38
Rot. Bonds10

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

(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol (PubChem CID 93163051) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
PubChem CID93163051
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
SMILESCCCN(Cc1cccc(C)c1)C[C@H](O)COCc1ccco1
InChIInChI=1S/C19H27NO3/c1-3-9-20(12-17-7-4-6-16(2)11-17)13-18(21)14-22-15-19-8-5-10-23-19/h4-8,10-11,18,21H,3,9,12-15H2,1-2H3/t18-/m0/s1
InChIKeyNCOBOKQPVURKHZ-SFHVURJKSA-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

(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 93162960
1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol
CID 24714073
(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93162553
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 93163092
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
CID 93162765
1-(furan-2-ylmethoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 24713597
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007950
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 46006706

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol?
The IUPAC name of (2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol (CID 93163051) is (2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol?
The canonical SMILES for (2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol is CCCN(Cc1cccc(C)c1)C[C@H](O)COCc1ccco1.
What is the InChIKey of (2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol?
The InChIKey is NCOBOKQPVURKHZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-9-20(12-17-7-4-6-16(2)11-17)13-18(21)14-22-15-19-8-5-10-23-19/h4-8,10-11,18,21H,3,9,12-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol?
(2S)-1-(furan-2-ylmethoxy)-3-[(3-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 (2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol is sourced from PubChem (CID 93163051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).