N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine

C17H21NO — CID 25315

💊View drug profile → tofenacin
IUPACN-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
SMILESCNCCOC(c1ccccc1)c1ccccc1C
InChIInChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
InChIKeyPNYKGCPSFKLFKA-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.32
Rot. Bonds6

About N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine

N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine (PubChem CID 25315) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
PubChem CID25315
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
SMILESCNCCOC(c1ccccc1)c1ccccc1C
InChIInChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
InChIKeyPNYKGCPSFKLFKA-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenhydramine
CID 3100
Diphenhydramine Hydrochloride
CID 8980
Orphenadrine
CID 4601
Orphenadrine Hydrochloride
CID 9568
2-(Diphenylmethoxy)ethylamine
CID 36060
2-Phenylmorpholine
CID 91101
Emetonium iodide
CID 80084
Ethanamine, N-methyl-2-((2-methylphenyl)phenylmethoxy)-, hydrochloride (1:1)
CID 23725051
1-[2-(Diphenylmethoxy)ethyl]piperazine
CID 648525
Talopram
CID 23573
5,5-Dimethyl-2-phenylmorpholine
CID 97711
Ethanaminium, 2-(diphenylmethoxy)-N,N,N-trimethyl-, bromide (1:1)
CID 10405586

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine?
The IUPAC name of N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine (CID 25315) is N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine?
The canonical SMILES for N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine is CNCCOC(c1ccccc1)c1ccccc1C.
What is the InChIKey of N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine?
The InChIKey is PNYKGCPSFKLFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine?
N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine is sourced from PubChem (CID 25315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).