N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine

C18H23NO — CID 4601

IUPACN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
SMILESCc1ccccc1C(OCCN(C)C)c1ccccc1
InChIInChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
InChIKeyQVYRGXJJSLMXQH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.66
Rot. Bonds6

About N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine

N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine (PubChem CID 4601) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
PubChem CID4601
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
SMILESCc1ccccc1C(OCCN(C)C)c1ccccc1
InChIInChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
InChIKeyQVYRGXJJSLMXQH-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
CID 67474795
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
1,1-dideuterio-N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2,2-dideuterio-N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;1,1-dideuterio-N,N-dimethyl-2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]ethanamine;2,2-dideuterio-N,N-dimethyl-2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]ethanamine;1,1-dideuterio-2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine;2,2-dideuterio-2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine;N,N-dimethyl-2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]ethanamine;2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine;2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-bis(trideuteriomethyl)ethanamine;1,1,2,2-tetradeuterio-N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;1,1,2,2-tetradeuterio-2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine
CID 159294265
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine
CID 91824497
2-(3-benzoylphenyl)propanoic acid;N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 70454559

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine (CID 4601) is N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine is Cc1ccccc1C(OCCN(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine?
The InChIKey is QVYRGXJJSLMXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine?
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine is sourced from PubChem (CID 4601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).