2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine

C18H22FNO — CID 67474795

IUPAC2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
SMILESCc1ccccc1C(OCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-14-6-4-5-7-17(14)18(21-13-12-20(2)3)15-8-10-16(19)11-9-15/h4-11,18H,12-13H2,1-3H3
InChIKeyWHLVKUSGZPHYOR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.80
Rot. Bonds6

About 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine

2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine (PubChem CID 67474795) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
PubChem CID67474795
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
SMILESCc1ccccc1C(OCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-14-6-4-5-7-17(14)18(21-13-12-20(2)3)15-8-10-16(19)11-9-15/h4-11,18H,12-13H2,1-3H3
InChIKeyWHLVKUSGZPHYOR-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.80
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-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine
CID 91824497
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
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
2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine
CID 102170442
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-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine (CID 67474795) is 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine is Cc1ccccc1C(OCCN(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine?
The InChIKey is WHLVKUSGZPHYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14-6-4-5-7-17(14)18(21-13-12-20(2)3)15-8-10-16(19)11-9-15/h4-11,18H,12-13H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine?
2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 67474795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).