3-(2-fluorophenyl)-4-methoxybutan-1-amine

C11H16FNO — CID 115021065

IUPAC3-(2-fluorophenyl)-4-methoxybutan-1-amine
SMILESCOCC(CCN)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-14-8-9(6-7-13)10-4-2-3-5-11(10)12/h2-5,9H,6-8,13H2,1H3
InChIKeyOGJRZACBNXBMLR-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.90
Rot. Bonds5

About 3-(2-fluorophenyl)-4-methoxybutan-1-amine

3-(2-fluorophenyl)-4-methoxybutan-1-amine (PubChem CID 115021065) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-methoxybutan-1-amine
PubChem CID115021065
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-(2-fluorophenyl)-4-methoxybutan-1-amine
SMILESCOCC(CCN)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-14-8-9(6-7-13)10-4-2-3-5-11(10)12/h2-5,9H,6-8,13H2,1H3
InChIKeyOGJRZACBNXBMLR-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-6-methoxyhexan-1-amine
CID 104649507
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
1-[1-chloro-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-2-fluorobenzene
CID 104568771
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
1-[1-bromo-4-(2-methylpropoxy)butan-2-yl]-2-fluorobenzene
CID 106459688
methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate
CID 162412493
N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate
CID 175407135
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-methoxybutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-4-methoxybutan-1-amine (CID 115021065) is 3-(2-fluorophenyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-4-methoxybutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-4-methoxybutan-1-amine is COCC(CCN)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-methoxybutan-1-amine?
The InChIKey is OGJRZACBNXBMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-14-8-9(6-7-13)10-4-2-3-5-11(10)12/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-4-methoxybutan-1-amine?
3-(2-fluorophenyl)-4-methoxybutan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 115021065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).