1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine

C16H18N2O3 — CID 62504909

IUPAC1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N2O3/c1-11-7-8-16(21-2)13(9-11)14(17)10-12-5-3-4-6-15(12)18(19)20/h3-9,14H,10,17H2,1-2H3
InChIKeyRUDWICWNMAKGTA-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.15
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine

1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine (PubChem CID 62504909) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
PubChem CID62504909
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N2O3/c1-11-7-8-16(21-2)13(9-11)14(17)10-12-5-3-4-6-15(12)18(19)20/h3-9,14H,10,17H2,1-2H3
InChIKeyRUDWICWNMAKGTA-UHFFFAOYSA-N
XLogP3.15
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
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

1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 62504743
2-[1-bromo-2-(2-nitrophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63542399
2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105050993
1-(3-chloro-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 81323338
1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine
CID 61079957
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
2-chloro-1-[1-chloro-2-(2-nitrophenyl)ethyl]-4-methylbenzene
CID 106863723
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115843576
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
1-(2,2-dimethoxyethyl)-2-nitrobenzene
CID 10330783
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine (CID 62504909) is 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine is COc1ccc(C)cc1C(N)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine?
The InChIKey is RUDWICWNMAKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-7-8-16(21-2)13(9-11)14(17)10-12-5-3-4-6-15(12)18(19)20/h3-9,14H,10,17H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine?
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine has a molecular weight of 286.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 62504909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).