N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine

C18H23NO — CID 62452521

IUPACN-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COc1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO/c1-4-19-12-16-7-5-6-8-17(16)13-20-18-10-9-14(2)15(3)11-18/h5-11,19H,4,12-13H2,1-3H3
InChIKeyJLWJSYVTVHPQFP-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.99
Rot. Bonds6

About N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine

N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 62452521) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID62452521
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COc1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO/c1-4-19-12-16-7-5-6-8-17(16)13-20-18-10-9-14(2)15(3)11-18/h5-11,19H,4,12-13H2,1-3H3
InChIKeyJLWJSYVTVHPQFP-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 63497555
3-[[2-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484882
N-[[2-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297843
N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63496855
2-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-ethylethanamine
CID 115464941
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 101178001
2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066619
2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
CID 62471198
N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496452
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
N-[[2-(3,4-dimethylphenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391166

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine (CID 62452521) is N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1COc1ccc(C)c(C)c1.
What is the InChIKey of N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is JLWJSYVTVHPQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-19-12-16-7-5-6-8-17(16)13-20-18-10-9-14(2)15(3)11-18/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine?
N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62452521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).