2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol

C20H20N2O5 — CID 86911070

IUPAC2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol
SMILESCOc1ccc([N+](=O)[O-])cc1CN(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C20H20N2O5/c1-26-20-9-8-17(22(24)25)11-16(20)13-21(14-18-6-4-10-27-18)12-15-5-2-3-7-19(15)23/h2-11,23H,12-14H2,1H3
InChIKeyGBZCJXUVOCEXFP-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.10
Rot. Bonds8

About 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol

2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol (PubChem CID 86911070) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol
PubChem CID86911070
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol
SMILESCOc1ccc([N+](=O)[O-])cc1CN(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C20H20N2O5/c1-26-20-9-8-17(22(24)25)11-16(20)13-21(14-18-6-4-10-27-18)12-15-5-2-3-7-19(15)23/h2-11,23H,12-14H2,1H3
InChIKeyGBZCJXUVOCEXFP-UHFFFAOYSA-N
XLogP4.10
TPSA88.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan
CID 154873234
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]methanamine
CID 24534511
3-[ethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]propanenitrile
CID 54992822
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-3-nitrobenzamide
CID 42707930
1-N-(furan-2-ylmethyl)-1-N-methyl-4-nitrobenzene-1,2-diamine
CID 62506135
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 78828421
1-(2-methoxy-5-nitrophenyl)-3-phenylpropan-2-one
CID 158664219
ethane;2-methoxy-4-nitrophenol
CID 91188946
N,N-bis[(2-bromophenyl)methyl]-2-methoxy-5-nitroaniline
CID 18512278
2-[bis(furan-2-ylmethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 26603771
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol?
The IUPAC name of 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol (CID 86911070) is 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol is COc1ccc([N+](=O)[O-])cc1CN(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol?
The InChIKey is GBZCJXUVOCEXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-26-20-9-8-17(22(24)25)11-16(20)13-21(14-18-6-4-10-27-18)12-15-5-2-3-7-19(15)23/h2-11,23H,12-14H2,1H3.
What are the key properties of 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol?
2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol has a molecular weight of 368.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-ylmethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]methyl]phenol is sourced from PubChem (CID 86911070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).