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

C16H18N2O2 — CID 63199809

IUPACN-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine
SMILESCNC(Cc1ccc(C)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-12-8-9-14(16(10-12)18(19)20)11-15(17-2)13-6-4-3-5-7-13/h3-10,15,17H,11H2,1-2H3
InChIKeyTWSYPBPPJWKUFP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds5

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

N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine (PubChem CID 63199809) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine
PubChem CID63199809
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine
SMILESCNC(Cc1ccc(C)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-12-8-9-14(16(10-12)18(19)20)11-15(17-2)13-6-4-3-5-7-13/h3-10,15,17H,11H2,1-2H3
InChIKeyTWSYPBPPJWKUFP-UHFFFAOYSA-N
XLogP3.41
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
2-(3-methoxy-4-nitrophenyl)-N-methyl-1-phenylethanamine
CID 63675720
1-(3-chloro-4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 103222354
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
CID 89213889
CID 89213889
1-benzylsulfanyl-4-methyl-2-nitrobenzene
CID 59110956
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 81481100
1-[2-bromo-2-(3-methylphenyl)ethyl]-2-nitrobenzene
CID 63543788

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine?
The IUPAC name of N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine (CID 63199809) is N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine is CNC(Cc1ccc(C)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine?
The InChIKey is TWSYPBPPJWKUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-8-9-14(16(10-12)18(19)20)11-15(17-2)13-6-4-3-5-7-13/h3-10,15,17H,11H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine?
N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine has a molecular weight of 270.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine is sourced from PubChem (CID 63199809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).