1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine

C12H18FNO2 — CID 103395841

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)c1ccc(OC)cc1F
InChIInChI=1S/C12H18FNO2/c1-4-11(16-3)12(14)9-6-5-8(15-2)7-10(9)13/h5-7,11-12H,4,14H2,1-3H3
InChIKeyPSXRQJBWKBCEID-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.26
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine

1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine (PubChem CID 103395841) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine
PubChem CID103395841
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)c1ccc(OC)cc1F
InChIInChI=1S/C12H18FNO2/c1-4-11(16-3)12(14)9-6-5-8(15-2)7-10(9)13/h5-7,11-12H,4,14H2,1-3H3
InChIKeyPSXRQJBWKBCEID-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
1-(2,4-difluorophenyl)-2-methoxybutan-1-amine
CID 116715202
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(1S,2R)-1-amino-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-2-ol
CID 171161424
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
1-(5-bromo-2-fluorophenyl)-2-methoxybutan-1-amine
CID 116715091
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine
CID 103395921
4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
CID 83909628
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171161417

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine (CID 103395841) is 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine is CCC(OC)C(N)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine?
The InChIKey is PSXRQJBWKBCEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-4-11(16-3)12(14)9-6-5-8(15-2)7-10(9)13/h5-7,11-12H,4,14H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine?
1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine is sourced from PubChem (CID 103395841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).