4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine

C15H23NO — CID 114471370

IUPAC4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
SMILESC=C(C)CCOc1ccc(CCC(C)N)cc1
InChIInChI=1S/C15H23NO/c1-12(2)10-11-17-15-8-6-14(7-9-15)5-4-13(3)16/h6-9,13H,1,4-5,10-11,16H2,2-3H3
InChIKeyYCYFMCBPHVEJTP-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.31
Rot. Bonds7

About 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine

4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine (PubChem CID 114471370) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
PubChem CID114471370
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
SMILESC=C(C)CCOc1ccc(CCC(C)N)cc1
InChIInChI=1S/C15H23NO/c1-12(2)10-11-17-15-8-6-14(7-9-15)5-4-13(3)16/h6-9,13H,1,4-5,10-11,16H2,2-3H3
InChIKeyYCYFMCBPHVEJTP-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(3-methylbut-3-enoxy)phenyl]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

4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60879766
4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103408958
4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 61493668
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
4-(4-but-3-en-2-yloxyphenyl)butan-2-amine
CID 62389671
2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide
CID 16794016

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine (CID 114471370) is 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine is C=C(C)CCOc1ccc(CCC(C)N)cc1.
What is the InChIKey of 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine?
The InChIKey is YCYFMCBPHVEJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)10-11-17-15-8-6-14(7-9-15)5-4-13(3)16/h6-9,13H,1,4-5,10-11,16H2,2-3H3.
What are the key properties of 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine?
4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine is sourced from PubChem (CID 114471370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).