2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol

C20H20N2O4 — CID 1375723

IUPAC2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol
SMILESCOc1cc(CN(C)Cc2cccc3ccccc23)cc([N+](=O)[O-])c1O
InChIInChI=1S/C20H20N2O4/c1-21(13-16-8-5-7-15-6-3-4-9-17(15)16)12-14-10-18(22(24)25)20(23)19(11-14)26-2/h3-11,23H,12-13H2,1-2H3
InChIKeyPOTLAKRRQUXMMK-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.09
Rot. Bonds6

About 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol

2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol (PubChem CID 1375723) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol.

Molecular Properties

Compound Name2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol
PubChem CID1375723
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol
SMILESCOc1cc(CN(C)Cc2cccc3ccccc23)cc([N+](=O)[O-])c1O
InChIInChI=1S/C20H20N2O4/c1-21(13-16-8-5-7-15-6-3-4-9-17(15)16)12-14-10-18(22(24)25)20(23)19(11-14)26-2/h3-11,23H,12-13H2,1-2H3
InChIKeyPOTLAKRRQUXMMK-UHFFFAOYSA-N
XLogP4.09
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
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

2-Methoxy-4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-6-nitrophenol
CID 1375657
2-Methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol
CID 796756
4-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}-2-methoxy-6-nitrophenol
CID 1376832
2-Methoxy-4-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-6-nitrophenol
CID 1377367
4-[(4-Benzyl-1-piperidinyl)methyl]-2-methoxy-6-nitrophenol
CID 2838093
2-Methoxy-4-[(3-methyl-1-piperidinyl)methyl]-6-nitrophenol
CID 2845936
2-[(Z)-2-(3,4-Dimethoxy-5-nitro-phenyl)-vinyl]-naphthalene
CID 11151810
2-methoxy-6-methyl-10-nitro-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 156012433
4-(1-Azepanylmethyl)-2-methoxy-6-nitrophenol
CID 791490
4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-2-methoxy-6-nitrophenol
CID 1377226
2-Methoxy-4-{[4-(2-methylphenyl)-1-piperazinyl]methyl}-6-nitrophenol
CID 1377359
4-[(2-Ethyl-1-piperidinyl)methyl]-2-methoxy-6-nitrophenol
CID 2845698

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol?
The IUPAC name of 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol (CID 1375723) is 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol.
What is the SMILES notation for 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol?
The canonical SMILES for 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol is COc1cc(CN(C)Cc2cccc3ccccc23)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol?
The InChIKey is POTLAKRRQUXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-21(13-16-8-5-7-15-6-3-4-9-17(15)16)12-14-10-18(22(24)25)20(23)19(11-14)26-2/h3-11,23H,12-13H2,1-2H3.
What are the key properties of 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol?
2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol has a molecular weight of 352.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-6-nitrophenol is sourced from PubChem (CID 1375723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).