2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine

C11H16FNO — CID 84667680

IUPAC2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(F)c(C)cc1OC
InChIInChI=1S/C11H16FNO/c1-8-6-11(14-3)9(4-5-13-2)7-10(8)12/h6-7,13H,4-5H2,1-3H3
InChIKeyFMXRXTNLQFENSJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.90
Rot. Bonds4

About 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine

2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 84667680) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
PubChem CID84667680
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(F)c(C)cc1OC
InChIInChI=1S/C11H16FNO/c1-8-6-11(14-3)9(4-5-13-2)7-10(8)12/h6-7,13H,4-5H2,1-3H3
InChIKeyFMXRXTNLQFENSJ-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
CID 117364649
2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
CID 83886558
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 115196106
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine (CID 84667680) is 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine is CNCCc1cc(F)c(C)cc1OC.
What is the InChIKey of 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is FMXRXTNLQFENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-6-11(14-3)9(4-5-13-2)7-10(8)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine?
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 197.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 84667680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).