1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol

C20H23ClN2O3 — CID 42837034

IUPAC1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
SMILESCn1cccc1CN(Cc1ccco1)CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-22-10-2-4-17(22)12-23(14-20-5-3-11-25-20)13-18(24)15-26-19-8-6-16(21)7-9-19/h2-11,18,24H,12-15H2,1H3
InChIKeyXSLVPYBYAULNKV-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.71
Rot. Bonds9

About 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol

1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol (PubChem CID 42837034) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
PubChem CID42837034
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
SMILESCn1cccc1CN(Cc1ccco1)CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-22-10-2-4-17(22)12-23(14-20-5-3-11-25-20)13-18(24)15-26-19-8-6-16(21)7-9-19/h2-11,18,24H,12-15H2,1H3
InChIKeyXSLVPYBYAULNKV-UHFFFAOYSA-N
XLogP3.71
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161997
1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 24713995
(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
CID 35767703
1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
CID 24715644
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222099
1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46007913
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3373535
3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile
CID 3808741
(2R)-1-[[5-(3-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(furan-2-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93219542
2-[[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-(furan-2-ylmethyl)amino]methyl]phenol
CID 7872390
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 46025818
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol (CID 42837034) is 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol is Cn1cccc1CN(Cc1ccco1)CC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol?
The InChIKey is XSLVPYBYAULNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-22-10-2-4-17(22)12-23(14-20-5-3-11-25-20)13-18(24)15-26-19-8-6-16(21)7-9-19/h2-11,18,24H,12-15H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol?
1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol has a molecular weight of 374.87 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 42837034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).