2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine

C21H29NO — CID 21916

IUPAC2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C21H29NO/c1-21(2,3)19-14-10-9-13-18(19)20(23-16-15-22(4)5)17-11-7-6-8-12-17/h6-14,20H,15-16H2,1-5H3
InChIKeyOGNRRAFRDFGFKA-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.65
Rot. Bonds6

About 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine

2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine (PubChem CID 21916) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
PubChem CID21916
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C21H29NO/c1-21(2,3)19-14-10-9-13-18(19)20(23-16-15-22(4)5)17-11-7-6-8-12-17/h6-14,20H,15-16H2,1-5H3
InChIKeyOGNRRAFRDFGFKA-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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CID 44326705

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine (CID 21916) is 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine is CN(C)CCOC(c1ccccc1)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The InChIKey is OGNRRAFRDFGFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-21(2,3)19-14-10-9-13-18(19)20(23-16-15-22(4)5)17-11-7-6-8-12-17/h6-14,20H,15-16H2,1-5H3.
What are the key properties of 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine has a molecular weight of 311.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 21916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).