2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine

C16H18N2O3 — CID 63675720

IUPAC2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-17-14(13-6-4-3-5-7-13)10-12-8-9-15(18(19)20)16(11-12)21-2/h3-9,11,14,17H,10H2,1-2H3
InChIKeyXLTZVBAYPDWIMZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.11
Rot. Bonds6

About 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine

2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine (PubChem CID 63675720) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine
PubChem CID63675720
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-17-14(13-6-4-3-5-7-13)10-12-8-9-15(18(19)20)16(11-12)21-2/h3-9,11,14,17H,10H2,1-2H3
InChIKeyXLTZVBAYPDWIMZ-UHFFFAOYSA-N
XLogP3.11
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.11
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-(3-methoxy-4-nitrophenyl)-N-methylmethanamine
CID 62114292
2-(3-methoxy-4-nitrophenyl)-1-phenylethanone
CID 63676279
N-ethyl-1-(3-methoxy-4-nitrophenyl)propan-2-amine
CID 63676496
4-(2-chlorobutyl)-2-methoxy-1-nitrobenzene
CID 63675925
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
N-[(3-methoxy-4-nitrophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 22046408
1-(3-methoxy-4-nitrophenyl)-N-propylpropan-2-amine
CID 63676901
N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine
CID 63199809
N-ethyl-1-(3-methoxy-4-nitrophenyl)-3,3-dimethylbutan-2-amine
CID 63677111
2-methoxy-4-(4-methylpentyl)-1-nitrobenzene
CID 160677686
benzyl-[(3-methoxy-4-nitrophenyl)methyl]carbamic acid
CID 22046354
1-(3-methoxy-4-nitrophenyl)-3-methylbutan-2-one
CID 55233556

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine (CID 63675720) is 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine is CNC(Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine?
The InChIKey is XLTZVBAYPDWIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-14(13-6-4-3-5-7-13)10-12-8-9-15(18(19)20)16(11-12)21-2/h3-9,11,14,17H,10H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine?
2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine has a molecular weight of 286.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 63675720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).