1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol

C22H25NO3 — CID 42682210

IUPAC1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H25NO3/c24-21(17-25-18-22-12-7-13-26-22)16-23(14-19-8-3-1-4-9-19)15-20-10-5-2-6-11-20/h1-13,21,24H,14-18H2
InChIKeyPCRSBMDRNJQNDX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.86
Rot. Bonds10

About 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol

1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 42682210) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID42682210
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H25NO3/c24-21(17-25-18-22-12-7-13-26-22)16-23(14-19-8-3-1-4-9-19)15-20-10-5-2-6-11-20/h1-13,21,24H,14-18H2
InChIKeyPCRSBMDRNJQNDX-UHFFFAOYSA-N
XLogP3.86
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
(2S)-1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163380
(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160909
(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164063
1-[benzyl(furan-2-ylmethyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55346175
1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713252
1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007950
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007562
(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93161388
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129423111

Frequently Asked Questions

What is the IUPAC name of 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol (CID 42682210) is 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol is OC(COCc1ccco1)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is PCRSBMDRNJQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(17-25-18-22-12-7-13-26-22)16-23(14-19-8-3-1-4-9-19)15-20-10-5-2-6-11-20/h1-13,21,24H,14-18H2.
What are the key properties of 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol?
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 351.45 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 42682210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).