4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine

C13H20FNO — CID 155593714

IUPAC4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
SMILESCOc1ccc(CCCCN(C)C)cc1F
InChIInChI=1S/C13H20FNO/c1-15(2)9-5-4-6-11-7-8-13(16-3)12(14)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyHYDKGEBGWBJZMU-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.72
Rot. Bonds6

About 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine

4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine (PubChem CID 155593714) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
PubChem CID155593714
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
SMILESCOc1ccc(CCCCN(C)C)cc1F
InChIInChI=1S/C13H20FNO/c1-15(2)9-5-4-6-11-7-8-13(16-3)12(14)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyHYDKGEBGWBJZMU-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261243
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
1-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136244
5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
CID 57389908
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
CID 64503531
3-[2-(3-fluoro-4-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225090
3-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120085
4-(7-tert-butylsulfonylheptyl)-2-fluoro-1-methoxybenzene
CID 59546163
2-fluoro-1-methoxy-4-(7-propan-2-ylsulfonylheptyl)benzene
CID 160748742
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine (CID 155593714) is 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine is COc1ccc(CCCCN(C)C)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine?
The InChIKey is HYDKGEBGWBJZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-15(2)9-5-4-6-11-7-8-13(16-3)12(14)10-11/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine?
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 155593714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).