2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine

C14H22FNO — CID 113453864

IUPAC2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1cccc(OC)c1F
InChIInChI=1S/C14H22FNO/c1-4-14(5-2,10-16)9-11-7-6-8-12(17-3)13(11)15/h6-8H,4-5,9-10,16H2,1-3H3
InChIKeyQTAUPXAHOOPERI-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.14
Rot. Bonds6

About 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine

2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine (PubChem CID 113453864) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
PubChem CID113453864
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1cccc(OC)c1F
InChIInChI=1S/C14H22FNO/c1-4-14(5-2,10-16)9-11-7-6-8-12(17-3)13(11)15/h6-8H,4-5,9-10,16H2,1-3H3
InChIKeyQTAUPXAHOOPERI-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
CID 104793017
1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
CID 113453716
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 104795340
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 104793318
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 104791386
2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 158318334
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 113453505
2-[(2,5-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111076
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 104793302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine (CID 113453864) is 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine is CCC(CC)(CN)Cc1cccc(OC)c1F.
What is the InChIKey of 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine?
The InChIKey is QTAUPXAHOOPERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-14(5-2,10-16)9-11-7-6-8-12(17-3)13(11)15/h6-8H,4-5,9-10,16H2,1-3H3.
What are the key properties of 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine?
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 113453864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).