N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine

C14H22FNO — CID 55108756

IUPACN-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO/c1-5-10(2)9-16-11(3)13-7-6-12(17-4)8-14(13)15/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyYQOCBJMTGNHDGR-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.53
Rot. Bonds6

About N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine

N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine (PubChem CID 55108756) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
PubChem CID55108756
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO/c1-5-10(2)9-16-11(3)13-7-6-12(17-4)8-14(13)15/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyYQOCBJMTGNHDGR-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993210
1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103778620
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584918
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine (CID 55108756) is N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine is CCC(C)CNC(C)c1ccc(OC)cc1F.
What is the InChIKey of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine?
The InChIKey is YQOCBJMTGNHDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-10(2)9-16-11(3)13-7-6-12(17-4)8-14(13)15/h6-8,10-11,16H,5,9H2,1-4H3.
What are the key properties of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine?
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 55108756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).