2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine

C14H22FNO2 — CID 62867105

IUPAC2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine
SMILESCCC(CC)C(N)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-5-9(6-2)14(16)10-7-12(17-3)13(18-4)8-11(10)15/h7-9,14H,5-6,16H2,1-4H3
InChIKeyLADCYDVOQQJMFG-UHFFFAOYSA-N
MW255.33 g/mol
LogP3.28
Rot. Bonds6

About 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine

2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine (PubChem CID 62867105) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine
PubChem CID62867105
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine
SMILESCCC(CC)C(N)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-5-9(6-2)14(16)10-7-12(17-3)13(18-4)8-11(10)15/h7-9,14H,5-6,16H2,1-4H3
InChIKeyLADCYDVOQQJMFG-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine
CID 171214001
(S)-diethoxyphosphoryl-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 171191962
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol
CID 171251040
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
CID 43149088
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171213964
(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 171312665
2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 62867617
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
5-(2-fluoro-4,5-dimethoxyphenyl)heptane-2,3-diol
CID 83922798

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine (CID 62867105) is 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine is CCC(CC)C(N)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine?
The InChIKey is LADCYDVOQQJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-5-9(6-2)14(16)10-7-12(17-3)13(18-4)8-11(10)15/h7-9,14H,5-6,16H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine?
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 62867105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).