1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine

C15H23NO — CID 54929170

IUPAC1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCC=C(C)C)c1
InChIInChI=1S/C15H23NO/c1-4-14(16)10-13-6-5-7-15(11-13)17-9-8-12(2)3/h5-8,11,14H,4,9-10,16H2,1-3H3
InChIKeyGHBLTFBXDQDWDF-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.31
Rot. Bonds6

About 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine

1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine (PubChem CID 54929170) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
PubChem CID54929170
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCC=C(C)C)c1
InChIInChI=1S/C15H23NO/c1-4-14(16)10-13-6-5-7-15(11-13)17-9-8-12(2)3/h5-8,11,14H,4,9-10,16H2,1-3H3
InChIKeyGHBLTFBXDQDWDF-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Related Compounds

1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]butan-2-amine
CID 106439644
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine
CID 60883726
1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
CID 103036253
1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
CID 54929499
methyl 3-[3-(2-aminobutyl)phenoxy]propanoate
CID 63947689
3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79621115
1-(3-hept-6-enoxyphenyl)butan-2-amine
CID 107009907
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine (CID 54929170) is 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(OCC=C(C)C)c1.
What is the InChIKey of 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine?
The InChIKey is GHBLTFBXDQDWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14(16)10-13-6-5-7-15(11-13)17-9-8-12(2)3/h5-8,11,14H,4,9-10,16H2,1-3H3.
What are the key properties of 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine?
1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine is sourced from PubChem (CID 54929170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).