2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine

C20H27NO — CID 102170442

IUPAC2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine
SMILESCc1ccccc1CC(OCCN(C)C)c1ccccc1C
InChIInChI=1S/C20H27NO/c1-16-9-5-7-11-18(16)15-20(22-14-13-21(3)4)19-12-8-6-10-17(19)2/h5-12,20H,13-15H2,1-4H3
InChIKeyGQROYKDHSPESNZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.17
Rot. Bonds7

About 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine

2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine (PubChem CID 102170442) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine
PubChem CID102170442
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine
SMILESCc1ccccc1CC(OCCN(C)C)c1ccccc1C
InChIInChI=1S/C20H27NO/c1-16-9-5-7-11-18(16)15-20(22-14-13-21(3)4)19-12-8-6-10-17(19)2/h5-12,20H,13-15H2,1-4H3
InChIKeyGQROYKDHSPESNZ-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
CID 67474795
4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol
CID 115345853
1,2-bis(2-methylphenyl)ethanol
CID 60798292
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404
N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine
CID 20679121
2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine
CID 91824497
N,N-dimethyl-12-(2-methylphenyl)dodecan-1-amine;hydrate
CID 173447859
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine (CID 102170442) is 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine is Cc1ccccc1CC(OCCN(C)C)c1ccccc1C.
What is the InChIKey of 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine?
The InChIKey is GQROYKDHSPESNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-16-9-5-7-11-18(16)15-20(22-14-13-21(3)4)19-12-8-6-10-17(19)2/h5-12,20H,13-15H2,1-4H3.
What are the key properties of 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine?
2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine has a molecular weight of 297.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 102170442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).