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

C12H18FNO — CID 66436991

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNO/c1-8(9(2)14-3)10-5-6-12(15-4)11(13)7-10/h5-9,14H,1-4H3
InChIKeyQOODBGUBVJJPFZ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.55
Rot. Bonds4

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

3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine (PubChem CID 66436991) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
PubChem CID66436991
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNO/c1-8(9(2)14-3)10-5-6-12(15-4)11(13)7-10/h5-9,14H,1-4H3
InChIKeyQOODBGUBVJJPFZ-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
CID 104995350
3-(3-fluoro-4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81017675
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948678
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine (CID 66436991) is 3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine is CNC(C)C(C)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is QOODBGUBVJJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(9(2)14-3)10-5-6-12(15-4)11(13)7-10/h5-9,14H,1-4H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 66436991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).