3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine

C12H18FNO — CID 82111061

IUPAC3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(F)cc1CC(C)(C)CN
InChIInChI=1S/C12H18FNO/c1-12(2,8-14)7-9-6-10(13)4-5-11(9)15-3/h4-6H,7-8,14H2,1-3H3
InChIKeyIXMJQEGOAQXVFR-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.36
Rot. Bonds4

About 3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine

3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 82111061) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID82111061
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(F)cc1CC(C)(C)CN
InChIInChI=1S/C12H18FNO/c1-12(2,8-14)7-9-6-10(13)4-5-11(9)15-3/h4-6H,7-8,14H2,1-3H3
InChIKeyIXMJQEGOAQXVFR-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

(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 83808865
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853483
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577151
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine (CID 82111061) is 3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine is COc1ccc(F)cc1CC(C)(C)CN.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is IXMJQEGOAQXVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,8-14)7-9-6-10(13)4-5-11(9)15-3/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
3-(5-fluoro-2-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-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82111061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).