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

C18H23NO — CID 62452788

IUPACN-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cccc(C)c2C)cc1
InChIInChI=1S/C18H23NO/c1-4-19-12-16-8-10-17(11-9-16)13-20-18-7-5-6-14(2)15(18)3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyRGDILVONPPDJDA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.99
Rot. Bonds6

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

N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 62452788) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID62452788
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cccc(C)c2C)cc1
InChIInChI=1S/C18H23NO/c1-4-19-12-16-8-10-17(11-9-16)13-20-18-7-5-6-14(2)15(18)3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyRGDILVONPPDJDA-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-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
N-[[4-[(2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62452911
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
N-[[4-[(2-propan-2-ylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62459431
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
(E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine
CID 27242330
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297631
N-[[4-(2-fluoro-3-methylphenoxy)phenyl]methyl]ethanamine
CID 107659654
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62442576
4-[[3-(2,3-dimethylphenoxy)propylamino]methyl]benzoic acid
CID 122033633

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine (CID 62452788) is N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(COc2cccc(C)c2C)cc1.
What is the InChIKey of N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is RGDILVONPPDJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-19-12-16-8-10-17(11-9-16)13-20-18-7-5-6-14(2)15(18)3/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine?
N-[[4-[(2,3-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-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62452788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).