2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine

C12H18FNO — CID 83835033

IUPAC2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H18FNO/c1-4-12(2,8-14)9-5-6-10(13)11(7-9)15-3/h5-7H,4,8,14H2,1-3H3
InChIKeyUODLFSPDGRHEAM-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine

2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine (PubChem CID 83835033) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine
PubChem CID83835033
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H18FNO/c1-4-12(2,8-14)9-5-6-10(13)11(7-9)15-3/h5-7H,4,8,14H2,1-3H3
InChIKeyUODLFSPDGRHEAM-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine
CID 83699270
2-(3,4-difluorophenyl)-2-methylbutan-1-amine
CID 83637662
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine
CID 112518955
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
CID 155520229
2-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 106818875
2-bromo-4-[1-[2-(3-bromo-4-fluorophenyl)-2-methylbutoxy]-2-methylbutan-2-yl]-1-fluorobenzene
CID 57278654
2-(4-fluoro-3-methoxyphenoxy)ethanamine
CID 83697045
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
CID 82397890
1-tert-butyl-2-fluoro-4-(3-methylpentan-3-yl)benzene
CID 126704074

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine (CID 83835033) is 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine is CCC(C)(CN)c1ccc(F)c(OC)c1.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is UODLFSPDGRHEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-12(2,8-14)9-5-6-10(13)11(7-9)15-3/h5-7H,4,8,14H2,1-3H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine?
2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 83835033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).