3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine

C12H18FNO — CID 105465072

IUPAC3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine
SMILESCNCCC(C)(F)c1cccc(OC)c1
InChIInChI=1S/C12H18FNO/c1-12(13,7-8-14-2)10-5-4-6-11(9-10)15-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyMKRUFXRPSQMMTJ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.49
Rot. Bonds5

About 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine

3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine (PubChem CID 105465072) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine
PubChem CID105465072
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine
SMILESCNCCC(C)(F)c1cccc(OC)c1
InChIInChI=1S/C12H18FNO/c1-12(13,7-8-14-2)10-5-4-6-11(9-10)15-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyMKRUFXRPSQMMTJ-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine
CID 105449357
3-fluoro-N-methyl-3-phenylbutan-1-amine
CID 105439612
3-(3-methoxyphenyl)-1-(methylamino)hexan-3-ol
CID 23459532
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
CID 105441968
N'-[(3-methoxyphenyl)-diphenylmethyl]-N,N'-dimethylethane-1,2-diamine
CID 155762879
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135089
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine (CID 105465072) is 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine is CNCCC(C)(F)c1cccc(OC)c1.
What is the InChIKey of 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is MKRUFXRPSQMMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(13,7-8-14-2)10-5-4-6-11(9-10)15-3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine?
3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 105465072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).