4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine

C12H18FNO2 — CID 112509941

IUPAC4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine
SMILESCOc1ccc(F)cc1C(CCCN)OC
InChIInChI=1S/C12H18FNO2/c1-15-11(4-3-7-14)10-8-9(13)5-6-12(10)16-2/h5-6,8,11H,3-4,7,14H2,1-2H3
InChIKeyQWECUNAVENALNM-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.26
Rot. Bonds6

About 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine

4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine (PubChem CID 112509941) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine
PubChem CID112509941
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine
SMILESCOc1ccc(F)cc1C(CCCN)OC
InChIInChI=1S/C12H18FNO2/c1-15-11(4-3-7-14)10-8-9(13)5-6-12(10)16-2/h5-6,8,11H,3-4,7,14H2,1-2H3
InChIKeyQWECUNAVENALNM-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
(1S)-1-(4-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224881
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 82078103
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
CID 15034471
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 82534391
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine (CID 112509941) is 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine is COc1ccc(F)cc1C(CCCN)OC.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine?
The InChIKey is QWECUNAVENALNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-15-11(4-3-7-14)10-8-9(13)5-6-12(10)16-2/h5-6,8,11H,3-4,7,14H2,1-2H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine?
4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 112509941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).