N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine

C18H23NO — CID 60960692

IUPACN-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cccc(C)c2C)c1
InChIInChI=1S/C18H23NO/c1-13-7-5-9-17(14(13)2)12-19-15(3)16-8-6-10-18(11-16)20-4/h5-11,15,19H,12H2,1-4H3
InChIKeyAZMJTIXSBRVGBM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.16
Rot. Bonds5

About N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine

N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 60960692) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID60960692
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cccc(C)c2C)c1
InChIInChI=1S/C18H23NO/c1-13-7-5-9-17(14(13)2)12-19-15(3)16-8-6-10-18(11-16)20-4/h5-11,15,19H,12H2,1-4H3
InChIKeyAZMJTIXSBRVGBM-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 105371258
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115556675
2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 60960692) is N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2cccc(C)c2C)c1.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is AZMJTIXSBRVGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-7-5-9-17(14(13)2)12-19-15(3)16-8-6-10-18(11-16)20-4/h5-11,15,19H,12H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 60960692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).