4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine

C12H18FNO — CID 104792644

IUPAC4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOc1cccc(CC(C)C(C)N)c1F
InChIInChI=1S/C12H18FNO/c1-8(9(2)14)7-10-5-4-6-11(15-3)12(10)13/h4-6,8-9H,7,14H2,1-3H3
InChIKeyZSXNQEXAOSRLEI-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.36
Rot. Bonds4

About 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine

4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine (PubChem CID 104792644) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
PubChem CID104792644
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOc1cccc(CC(C)C(C)N)c1F
InChIInChI=1S/C12H18FNO/c1-8(9(2)14)7-10-5-4-6-11(15-3)12(10)13/h4-6,8-9H,7,14H2,1-3H3
InChIKeyZSXNQEXAOSRLEI-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

1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
[1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-yl]hydrazine
CID 105219814
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine
CID 104794588
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
4-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-one
CID 116612356
1-(4-bromo-3,5-dimethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 114330177
2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105180643
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-3-amine
CID 104792686

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine (CID 104792644) is 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine is COc1cccc(CC(C)C(C)N)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine?
The InChIKey is ZSXNQEXAOSRLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(9(2)14)7-10-5-4-6-11(15-3)12(10)13/h4-6,8-9H,7,14H2,1-3H3.
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine?
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-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 4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 104792644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).