N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine

C17H21NO — CID 43279574

IUPACN-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCNC(C)c1ccccc1OCc1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-13-7-6-8-15(11-13)12-19-17-10-5-4-9-16(17)14(2)18-3/h4-11,14,18H,12H2,1-3H3
InChIKeyGSZCKMPIFYWGKU-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine

N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 43279574) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID43279574
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCNC(C)c1ccccc1OCc1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-13-7-6-8-15(11-13)12-19-17-10-5-4-9-16(17)14(2)18-3/h4-11,14,18H,12H2,1-3H3
InChIKeyGSZCKMPIFYWGKU-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315350
1-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]-N-methylethanamine
CID 65126033
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 104791282
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
CID 63499730

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine (CID 43279574) is N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine is CNC(C)c1ccccc1OCc1cccc(C)c1.
What is the InChIKey of N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is GSZCKMPIFYWGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-7-6-8-15(11-13)12-19-17-10-5-4-9-16(17)14(2)18-3/h4-11,14,18H,12H2,1-3H3.
What are the key properties of N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 43279574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).