2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine

C12H18FNO2 — CID 82808256

IUPAC2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)(N)c1cccc(OC)c1F
InChIInChI=1S/C12H18FNO2/c1-12(14,7-8-15-2)9-5-4-6-10(16-3)11(9)13/h4-6H,7-8,14H2,1-3H3
InChIKeyLSCAKOKURLIJIE-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.04
Rot. Bonds5

About 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine

2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine (PubChem CID 82808256) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
PubChem CID82808256
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)(N)c1cccc(OC)c1F
InChIInChI=1S/C12H18FNO2/c1-12(14,7-8-15-2)9-5-4-6-10(16-3)11(9)13/h4-6H,7-8,14H2,1-3H3
InChIKeyLSCAKOKURLIJIE-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 62800982
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 104793302
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 82811080
4-(ethylamino)-2-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 82811754
2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol
CID 82806354
2-(2-methoxyphenyl)-4-phenylbutan-2-amine
CID 54918972
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine (CID 82808256) is 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine is COCCC(C)(N)c1cccc(OC)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine?
The InChIKey is LSCAKOKURLIJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-12(14,7-8-15-2)9-5-4-6-10(16-3)11(9)13/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine?
2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine has a molecular weight of 227.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 82808256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).