4-methoxy-N-(4-phenylbutyl)butan-2-amine

C15H25NO — CID 115688342

IUPAC4-methoxy-N-(4-phenylbutyl)butan-2-amine
SMILESCOCCC(C)NCCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-14(11-13-17-2)16-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3
InChIKeyFLOJSORPTKXZHR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.02
Rot. Bonds9

About 4-methoxy-N-(4-phenylbutyl)butan-2-amine

4-methoxy-N-(4-phenylbutyl)butan-2-amine (PubChem CID 115688342) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methoxy-N-(4-phenylbutyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-phenylbutyl)butan-2-amine
PubChem CID115688342
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-methoxy-N-(4-phenylbutyl)butan-2-amine
SMILESCOCCC(C)NCCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-14(11-13-17-2)16-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3
InChIKeyFLOJSORPTKXZHR-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-(4-phenylbutyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-phenylbutyl)hexan-2-amine
CID 114333315
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
6-phenyl-N-propylhexan-2-amine
CID 61485022
4-chloro-1-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 114150757
4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine
CID 144590933
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine
CID 114333571
3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine
CID 114333309
7-methoxyheptylbenzene
CID 54276867
1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
CID 10316304
4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine
CID 115889738

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-phenylbutyl)butan-2-amine?
The IUPAC name of 4-methoxy-N-(4-phenylbutyl)butan-2-amine (CID 115688342) is 4-methoxy-N-(4-phenylbutyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-(4-phenylbutyl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-(4-phenylbutyl)butan-2-amine is COCCC(C)NCCCCc1ccccc1.
What is the InChIKey of 4-methoxy-N-(4-phenylbutyl)butan-2-amine?
The InChIKey is FLOJSORPTKXZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(11-13-17-2)16-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3.
What are the key properties of 4-methoxy-N-(4-phenylbutyl)butan-2-amine?
4-methoxy-N-(4-phenylbutyl)butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-phenylbutyl)butan-2-amine is sourced from PubChem (CID 115688342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).