3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine

C12H18FNO — CID 63935715

IUPAC3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine
SMILESCNC(C)C(C)OCc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(14-3)10(2)15-8-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyLGKUUKPRPJTQQE-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.34
Rot. Bonds5

About 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine

3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine (PubChem CID 63935715) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine
PubChem CID63935715
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine
SMILESCNC(C)C(C)OCc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(14-3)10(2)15-8-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyLGKUUKPRPJTQQE-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184
2-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)propan-1-ol
CID 63935953
1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene
CID 134202097
1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 63937562
2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine
CID 103228719
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine
CID 63936975
1-(4-bromophenyl)-2-[(2-fluorophenyl)methoxy]propan-1-one
CID 63937365
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
2-(3-fluorophenyl)-2-[(2-fluorophenyl)methoxy]-N-methylethanamine
CID 63933012

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine (CID 63935715) is 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine is CNC(C)C(C)OCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine?
The InChIKey is LGKUUKPRPJTQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(14-3)10(2)15-8-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine?
3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine is sourced from PubChem (CID 63935715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).