2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine

C21H29NO — CID 171986365

IUPAC2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCCc1cccc(CC)c1C(OCCN(C)C)c1ccccc1
InChIInChI=1S/C21H29NO/c1-5-17-13-10-14-18(6-2)20(17)21(23-16-15-22(3)4)19-11-8-7-9-12-19/h7-14,21H,5-6,15-16H2,1-4H3
InChIKeyFADSBTXTAWBWRV-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.48
Rot. Bonds8

About 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine

2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine (PubChem CID 171986365) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
PubChem CID171986365
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCCc1cccc(CC)c1C(OCCN(C)C)c1ccccc1
InChIInChI=1S/C21H29NO/c1-5-17-13-10-14-18(6-2)20(17)21(23-16-15-22(3)4)19-11-8-7-9-12-19/h7-14,21H,5-6,15-16H2,1-4H3
InChIKeyFADSBTXTAWBWRV-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine
CID 124847433
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
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
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
2-benzhydryloxy-N,N-dimethylethanamine;2-(2-benzylphenoxy)-N,N-dimethylethanamine
CID 70260941
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine (CID 171986365) is 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine is CCc1cccc(CC)c1C(OCCN(C)C)c1ccccc1.
What is the InChIKey of 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The InChIKey is FADSBTXTAWBWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-5-17-13-10-14-18(6-2)20(17)21(23-16-15-22(3)4)19-11-8-7-9-12-19/h7-14,21H,5-6,15-16H2,1-4H3.
What are the key properties of 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine has a molecular weight of 311.47 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 171986365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).