4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine

C17H28ClNO — CID 79443466

IUPAC4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
SMILESCCCCOCCC(CNCCC)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO/c1-3-5-11-20-12-9-16(14-19-10-4-2)15-7-6-8-17(18)13-15/h6-8,13,16,19H,3-5,9-12,14H2,1-2H3
InChIKeyIVYGHDXYJRTUDG-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.63
Rot. Bonds11

About 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine

4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine (PubChem CID 79443466) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
PubChem CID79443466
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
SMILESCCCCOCCC(CNCCC)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO/c1-3-5-11-20-12-9-16(14-19-10-4-2)15-7-6-8-17(18)13-15/h6-8,13,16,19H,3-5,9-12,14H2,1-2H3
InChIKeyIVYGHDXYJRTUDG-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.63
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

2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457152
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240
2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
CID 79442885
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
2-(3-fluorophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79432439
2-(3-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79430248
2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79443619
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
CID 79433186

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine (CID 79443466) is 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine is CCCCOCCC(CNCCC)c1cccc(Cl)c1.
What is the InChIKey of 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine?
The InChIKey is IVYGHDXYJRTUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-3-5-11-20-12-9-16(14-19-10-4-2)15-7-6-8-17(18)13-15/h6-8,13,16,19H,3-5,9-12,14H2,1-2H3.
What are the key properties of 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine?
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 79443466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).