4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine

C16H26FNO — CID 79439765

IUPAC4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
SMILESCCCCOCCC(CNCC)c1ccccc1F
InChIInChI=1S/C16H26FNO/c1-3-5-11-19-12-10-14(13-18-4-2)15-8-6-7-9-16(15)17/h6-9,14,18H,3-5,10-13H2,1-2H3
InChIKeyHHOKDBZOGVONGS-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.73
Rot. Bonds10

About 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine

4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine (PubChem CID 79439765) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
PubChem CID79439765
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
SMILESCCCCOCCC(CNCC)c1ccccc1F
InChIInChI=1S/C16H26FNO/c1-3-5-11-19-12-10-14(13-18-4-2)15-8-6-7-9-16(15)17/h6-9,14,18H,3-5,10-13H2,1-2H3
InChIKeyHHOKDBZOGVONGS-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.73
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-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
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
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
2-(2-fluorophenyl)-N-methyldodecan-1-amine
CID 79435505
N-ethyl-2-(2-fluorophenyl)-2-pentoxyethanamine
CID 55036773
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79439132
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine?
The IUPAC name of 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine (CID 79439765) is 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine.
What is the SMILES notation for 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine?
The canonical SMILES for 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine is CCCCOCCC(CNCC)c1ccccc1F.
What is the InChIKey of 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine?
The InChIKey is HHOKDBZOGVONGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-5-11-19-12-10-14(13-18-4-2)15-8-6-7-9-16(15)17/h6-9,14,18H,3-5,10-13H2,1-2H3.
What are the key properties of 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine?
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine is sourced from PubChem (CID 79439765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).