2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine

C12H18FNO — CID 80502577

IUPAC2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOc1ccc(F)cc1C(C)(N)C(C)C
InChIInChI=1S/C12H18FNO/c1-8(2)12(3,14)10-7-9(13)5-6-11(10)15-4/h5-8H,14H2,1-4H3
InChIKeyLSOAMWGSEVADQR-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.66
Rot. Bonds3

About 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine

2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine (PubChem CID 80502577) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
PubChem CID80502577
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOc1ccc(F)cc1C(C)(N)C(C)C
InChIInChI=1S/C12H18FNO/c1-8(2)12(3,14)10-7-9(13)5-6-11(10)15-4/h5-8H,14H2,1-4H3
InChIKeyLSOAMWGSEVADQR-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
CID 82291393
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
2-fluoro-2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 112566851
(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 94679966
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
(2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine
CID 130941665
N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198929
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 82771424
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine (CID 80502577) is 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine is COc1ccc(F)cc1C(C)(N)C(C)C.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine?
The InChIKey is LSOAMWGSEVADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(2)12(3,14)10-7-9(13)5-6-11(10)15-4/h5-8H,14H2,1-4H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine?
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 80502577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).