2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine

C12H18FNO2 — CID 117327151

IUPAC2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine
SMILESCOc1cc(OC)c(C(C)F)cc1CCN
InChIInChI=1S/C12H18FNO2/c1-8(13)10-6-9(4-5-14)11(15-2)7-12(10)16-3/h6-8H,4-5,14H2,1-3H3
InChIKeyOVUNGHBRTHWDQE-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.24
Rot. Bonds5

About 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine

2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine (PubChem CID 117327151) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine
PubChem CID117327151
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine
SMILESCOc1cc(OC)c(C(C)F)cc1CCN
InChIInChI=1S/C12H18FNO2/c1-8(13)10-6-9(4-5-14)11(15-2)7-12(10)16-3/h6-8H,4-5,14H2,1-3H3
InChIKeyOVUNGHBRTHWDQE-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]propan-1-amine
CID 117355471
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
CID 117355444
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]propan-1-amine
CID 117355470
2-[4-(3-fluorobutylsulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 162733833
2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117335907
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-[4-(2,2-difluoroethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 12063258
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-[4-(2,2-difluoroethylselanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534515
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117359818

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine?
The IUPAC name of 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine (CID 117327151) is 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine.
What is the SMILES notation for 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine?
The canonical SMILES for 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine is COc1cc(OC)c(C(C)F)cc1CCN.
What is the InChIKey of 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine?
The InChIKey is OVUNGHBRTHWDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-8(13)10-6-9(4-5-14)11(15-2)7-12(10)16-3/h6-8H,4-5,14H2,1-3H3.
What are the key properties of 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine?
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine has a molecular weight of 227.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine is sourced from PubChem (CID 117327151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).