4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine

C15H24FNO — CID 79439304

IUPAC4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
SMILESCCCCOCCC(CNC)c1ccccc1F
InChIInChI=1S/C15H24FNO/c1-3-4-10-18-11-9-13(12-17-2)14-7-5-6-8-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyOUCUBYFCRZCRMX-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.34
Rot. Bonds9

About 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine

4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine (PubChem CID 79439304) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
PubChem CID79439304
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
SMILESCCCCOCCC(CNC)c1ccccc1F
InChIInChI=1S/C15H24FNO/c1-3-4-10-18-11-9-13(12-17-2)14-7-5-6-8-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyOUCUBYFCRZCRMX-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.34
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

4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
2-(2-fluorophenyl)-N-methyldodecan-1-amine
CID 79435505
2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79439067
N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412646
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
CID 79439065
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine?
The IUPAC name of 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine (CID 79439304) is 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine is CCCCOCCC(CNC)c1ccccc1F.
What is the InChIKey of 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine?
The InChIKey is OUCUBYFCRZCRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-4-10-18-11-9-13(12-17-2)14-7-5-6-8-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine?
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 79439304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).