N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine

C13H20FNO — CID 103396650

IUPACN-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
SMILESCCNC(C)C(C)c1ccc(OC)cc1F
InChIInChI=1S/C13H20FNO/c1-5-15-10(3)9(2)12-7-6-11(16-4)8-13(12)14/h6-10,15H,5H2,1-4H3
InChIKeyGVRZMUQZKKCFEO-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.94
Rot. Bonds5

About N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine

N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine (PubChem CID 103396650) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
PubChem CID103396650
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
SMILESCCNC(C)C(C)c1ccc(OC)cc1F
InChIInChI=1S/C13H20FNO/c1-5-15-10(3)9(2)12-7-6-11(16-4)8-13(12)14/h6-10,15H,5H2,1-4H3
InChIKeyGVRZMUQZKKCFEO-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
CID 103395819
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
N-ethyl-1-(2-fluoro-4-methoxyphenyl)but-3-yn-1-amine
CID 81304172
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496
N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 103395517
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine (CID 103396650) is N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine is CCNC(C)C(C)c1ccc(OC)cc1F.
What is the InChIKey of N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine?
The InChIKey is GVRZMUQZKKCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-5-15-10(3)9(2)12-7-6-11(16-4)8-13(12)14/h6-10,15H,5H2,1-4H3.
What are the key properties of N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine?
N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 103396650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).