1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol

C19H30N2O3 — CID 24715644

IUPAC1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
SMILESCC(C)CCN(Cc1cccn1C)CC(O)COCc1ccco1
InChIInChI=1S/C19H30N2O3/c1-16(2)8-10-21(12-17-6-4-9-20(17)3)13-18(22)14-23-15-19-7-5-11-24-19/h4-7,9,11,16,18,22H,8,10,12-15H2,1-3H3
InChIKeyRYMVGIVETUHTJE-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.04
Rot. Bonds11

About 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol (PubChem CID 24715644) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
PubChem CID24715644
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
SMILESCC(C)CCN(Cc1cccn1C)CC(O)COCc1ccco1
InChIInChI=1S/C19H30N2O3/c1-16(2)8-10-21(12-17-6-4-9-20(17)3)13-18(22)14-23-15-19-7-5-11-24-19/h4-7,9,11,16,18,22H,8,10,12-15H2,1-3H3
InChIKeyRYMVGIVETUHTJE-UHFFFAOYSA-N
XLogP3.04
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161997
(2S)-1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 93163676
1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 24713995
1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007333
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 7202218
1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
CID 42837034
1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 46006706
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 7296193
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
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
CID 93162765

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol (CID 24715644) is 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol is CC(C)CCN(Cc1cccn1C)CC(O)COCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol?
The InChIKey is RYMVGIVETUHTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-16(2)8-10-21(12-17-6-4-9-20(17)3)13-18(22)14-23-15-19-7-5-11-24-19/h4-7,9,11,16,18,22H,8,10,12-15H2,1-3H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol has a molecular weight of 334.46 g/mol, XLogP of 3.04, 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-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 24715644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).