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

C19H27NO4 — CID 24714073

IUPAC1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol
SMILESCCCN(Cc1cccc(OC)c1)CC(O)COCc1ccco1
InChIInChI=1S/C19H27NO4/c1-3-9-20(12-16-6-4-7-18(11-16)22-2)13-17(21)14-23-15-19-8-5-10-24-19/h4-8,10-11,17,21H,3,9,12-15H2,1-2H3
InChIKeyTUJBYNAWPRIJRB-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.08
Rot. Bonds11

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

1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol (PubChem CID 24714073) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol
PubChem CID24714073
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol
SMILESCCCN(Cc1cccc(OC)c1)CC(O)COCc1ccco1
InChIInChI=1S/C19H27NO4/c1-3-9-20(12-16-6-4-7-18(11-16)22-2)13-17(21)14-23-15-19-8-5-10-24-19/h4-8,10-11,17,21H,3,9,12-15H2,1-2H3
InChIKeyTUJBYNAWPRIJRB-UHFFFAOYSA-N
XLogP3.08
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 24713597
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
CID 93163051
(2R)-1-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 99730490
(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93162553
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160909
(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
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
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol (CID 24714073) is 1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol is CCCN(Cc1cccc(OC)c1)CC(O)COCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol?
The InChIKey is TUJBYNAWPRIJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-9-20(12-16-6-4-7-18(11-16)22-2)13-17(21)14-23-15-19-8-5-10-24-19/h4-8,10-11,17,21H,3,9,12-15H2,1-2H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol has a molecular weight of 333.43 g/mol, XLogP of 3.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol is sourced from PubChem (CID 24714073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).