2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine

C12H18FNO — CID 116726326

IUPAC2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-4-15-12(2,3)11(14)9-6-5-7-10(13)8-9/h5-8,11H,4,14H2,1-3H3
InChIKeyUYKYVUBZXCOMSL-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.64
Rot. Bonds4

About 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine

2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 116726326) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine
PubChem CID116726326
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-4-15-12(2,3)11(14)9-6-5-7-10(13)8-9/h5-8,11H,4,14H2,1-3H3
InChIKeyUYKYVUBZXCOMSL-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 116932697
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine
CID 63081353
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
methyl (3R)-3-amino-3-(3-fluorophenyl)-2,2-dimethylpropanoate
CID 171239221
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
1-(3-fluorophenyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 46236227
ethyl 3-(3-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62397600
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(3-fluorophenyl)-methoxymethanamine
CID 116947347

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine (CID 116726326) is 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine is CCOC(C)(C)C(N)c1cccc(F)c1.
What is the InChIKey of 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is UYKYVUBZXCOMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-15-12(2,3)11(14)9-6-5-7-10(13)8-9/h5-8,11H,4,14H2,1-3H3.
What are the key properties of 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine?
2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 116726326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).