1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine

C17H20N2O3 — CID 42957833

IUPAC1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
SMILESCOc1ccccc1C(C)N(C)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H20N2O3/c1-13(16-6-4-5-7-17(16)22-3)18(2)12-14-8-10-15(11-9-14)19(20)21/h4-11,13H,12H2,1-3H3
InChIKeyUALYBEVDJXKBEO-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.80
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine

1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine (PubChem CID 42957833) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
PubChem CID42957833
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
SMILESCOc1ccccc1C(C)N(C)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H20N2O3/c1-13(16-6-4-5-7-17(16)22-3)18(2)12-14-8-10-15(11-9-14)19(20)21/h4-11,13H,12H2,1-3H3
InChIKeyUALYBEVDJXKBEO-UHFFFAOYSA-N
XLogP3.80
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]benzonitrile
CID 42957834
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
N-[1-(2-methoxyphenyl)ethyl]-4-nitro-N-phenylbenzenesulfonamide
CID 42841873
(1S)-1-(1-benzofuran-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 51873250
5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine
CID 95120663
4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]-3-nitrobenzamide
CID 42957847
1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene
CID 60627375
1-[2-(4-nitrophenyl)ethoxy]-2-propan-2-ylbenzene
CID 64764022
(1R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 8694692
1-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)thiourea
CID 8655053
(2-propan-2-ylphenyl) (4-nitrophenyl)methanesulfonate
CID 78858107
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 2842584

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine (CID 42957833) is 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine is COc1ccccc1C(C)N(C)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine?
The InChIKey is UALYBEVDJXKBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(16-6-4-5-7-17(16)22-3)18(2)12-14-8-10-15(11-9-14)19(20)21/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine?
1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine has a molecular weight of 300.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 42957833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).