2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine

C18H23NO2 — CID 10669

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IUPAC2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCOc1ccc(C(OCCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-19(2)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16/h4-12,18H,13-14H2,1-3H3
InChIKeyBXCMCXBSUDRYPF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.36
Rot. Bonds7

About 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine

2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine (PubChem CID 10669) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
PubChem CID10669
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCOc1ccc(C(OCCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-19(2)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16/h4-12,18H,13-14H2,1-3H3
InChIKeyBXCMCXBSUDRYPF-UHFFFAOYSA-N
XLogP3.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
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
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine (CID 10669) is 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine is COc1ccc(C(OCCN(C)C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The InChIKey is BXCMCXBSUDRYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(2)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16/h4-12,18H,13-14H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 10669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).