1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine

C13H20FNO — CID 43561378

IUPAC1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1F)C(C)(C)C
InChIInChI=1S/C13H20FNO/c1-13(2,3)12(15-4)10-7-6-9(16-5)8-11(10)14/h6-8,12,15H,1-5H3
InChIKeySUNLLYDVYCXEEH-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.14
Rot. Bonds3

About 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine

1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 43561378) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID43561378
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1F)C(C)(C)C
InChIInChI=1S/C13H20FNO/c1-13(2,3)12(15-4)10-7-6-9(16-5)8-11(10)14/h6-8,12,15H,1-5H3
InChIKeySUNLLYDVYCXEEH-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-chloro-2,2-dimethylpropyl)-2-fluoro-4-methoxybenzene
CID 61084063
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 103395874
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(2-fluoro-4-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 81305455
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103395656
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43561213
2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine
CID 83835350
1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 103396754
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine (CID 43561378) is 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine is CNC(c1ccc(OC)cc1F)C(C)(C)C.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is SUNLLYDVYCXEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,3)12(15-4)10-7-6-9(16-5)8-11(10)14/h6-8,12,15H,1-5H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 43561378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).