1-(3,4-difluorophenyl)-4-methoxybutan-1-amine

C11H15F2NO — CID 62600679

IUPAC1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-15-6-2-3-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,11H,2-3,6,14H2,1H3
InChIKeyITGFRWPMMXBHHT-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.39
Rot. Bonds5

About 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine

1-(3,4-difluorophenyl)-4-methoxybutan-1-amine (PubChem CID 62600679) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
PubChem CID62600679
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-15-6-2-3-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,11H,2-3,6,14H2,1H3
InChIKeyITGFRWPMMXBHHT-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
CID 81082530
5-amino-5-(3,4-difluorophenyl)pentan-1-ol
CID 82367220
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
CID 105055131
4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661
1-(3,4-difluorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 79086921
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 107130391
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine (CID 62600679) is 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine is COCCCC(N)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine?
The InChIKey is ITGFRWPMMXBHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-6-2-3-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,11H,2-3,6,14H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine?
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 62600679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).