[5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol

C13H14N2O4 — CID 64592355

IUPAC[5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(CNCc2ccc(CO)o2)cc1
InChIInChI=1S/C13H14N2O4/c16-9-13-6-5-12(19-13)8-14-7-10-1-3-11(4-2-10)15(17)18/h1-6,14,16H,7-9H2
InChIKeyLWUVRWYTCSEYCB-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.97
Rot. Bonds6

About [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol

[5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol (PubChem CID 64592355) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol
PubChem CID64592355
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name[5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(CNCc2ccc(CO)o2)cc1
InChIInChI=1S/C13H14N2O4/c16-9-13-6-5-12(19-13)8-14-7-10-1-3-11(4-2-10)15(17)18/h1-6,14,16H,7-9H2
InChIKeyLWUVRWYTCSEYCB-UHFFFAOYSA-N
XLogP1.97
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 86662371
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 17293373
N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 43214518
N-[(3,5-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 61030106
4-[(4-nitrophenyl)methylamino]butanamide
CID 60865200
N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 57030248
1-(4-nitrophenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408092
2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine
CID 62331333
[4-[[(2-chloro-5-nitrophenyl)methylamino]methyl]phenyl]methanol
CID 107229990
N-[(5-ethylthiophen-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875792
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991

Frequently Asked Questions

What is the IUPAC name of [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol (CID 64592355) is [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol is O=[N+]([O-])c1ccc(CNCc2ccc(CO)o2)cc1.
What is the InChIKey of [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol?
The InChIKey is LWUVRWYTCSEYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-9-13-6-5-12(19-13)8-14-7-10-1-3-11(4-2-10)15(17)18/h1-6,14,16H,7-9H2.
What are the key properties of [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol?
[5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol has a molecular weight of 262.27 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64592355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).