1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine

C11H16FNO — CID 116914588

IUPAC1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(F)cc1C(C)N(C)C
InChIInChI=1S/C11H16FNO/c1-8(13(2)3)10-7-9(12)5-6-11(10)14-4/h5-8H,1-4H3
InChIKeyYQNBNHBDEULQCA-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.46
Rot. Bonds3

About 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine

1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine (PubChem CID 116914588) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
PubChem CID116914588
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(F)cc1C(C)N(C)C
InChIInChI=1S/C11H16FNO/c1-8(13(2)3)10-7-9(12)5-6-11(10)14-4/h5-8H,1-4H3
InChIKeyYQNBNHBDEULQCA-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
CID 142421091
4-(dimethylamino)-4-(5-fluoro-2-methoxyphenyl)-2-methylbutanoic acid
CID 116908253
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-(1-chloro-2,2-difluoroethyl)-4-fluoro-1-methoxybenzene
CID 103514435

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine (CID 116914588) is 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine is COc1ccc(F)cc1C(C)N(C)C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine?
The InChIKey is YQNBNHBDEULQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(13(2)3)10-7-9(12)5-6-11(10)14-4/h5-8H,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine?
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine has a molecular weight of 197.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116914588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).