3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine

C12H18FNO — CID 83808865

IUPAC3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1cccc(F)c1CC(C)(C)CN
InChIInChI=1S/C12H18FNO/c1-12(2,8-14)7-9-10(13)5-4-6-11(9)15-3/h4-6H,7-8,14H2,1-3H3
InChIKeyQZWZDAARLJNDLQ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.36
Rot. Bonds4

About 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine

3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 83808865) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID83808865
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1cccc(F)c1CC(C)(C)CN
InChIInChI=1S/C12H18FNO/c1-12(2,8-14)7-9-10(13)5-4-6-11(9)15-3/h4-6H,7-8,14H2,1-3H3
InChIKeyQZWZDAARLJNDLQ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
1-amino-3-(2-fluoro-6-methoxyphenyl)propan-2-ol
CID 83442464
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
CID 59280730
CID 59280730
methyl 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-methylpropanoate
CID 106487932
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine
CID 82576978
1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117302009
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine (CID 83808865) is 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine is COc1cccc(F)c1CC(C)(C)CN.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is QZWZDAARLJNDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,8-14)7-9-10(13)5-4-6-11(9)15-3/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine?
3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 83808865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).