3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine

C15H24FNO — CID 113219272

IUPAC3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCCOCCCNC(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-4-11-18-12-5-10-17-13(2)14-6-8-15(16)9-7-14/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyAZPKCLLJCZTCTH-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.68
Rot. Bonds9

About 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine

3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 113219272) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID113219272
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCCOCCCNC(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-4-11-18-12-5-10-17-13(2)14-6-8-15(16)9-7-14/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyAZPKCLLJCZTCTH-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
3-butoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115704386
4-[1-(3-propoxypropylamino)ethyl]phenol
CID 82941450
2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727479
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine (CID 113219272) is 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine is CCCCOCCCNC(C)c1ccc(F)cc1.
What is the InChIKey of 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is AZPKCLLJCZTCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-4-11-18-12-5-10-17-13(2)14-6-8-15(16)9-7-14/h6-9,13,17H,3-5,10-12H2,1-2H3.
What are the key properties of 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine?
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 113219272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).