N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine

C15H23NO — CID 60883726

IUPACN-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)=CCOc1cccc(CNC(C)C)c1
InChIInChI=1S/C15H23NO/c1-12(2)8-9-17-15-7-5-6-14(10-15)11-16-13(3)4/h5-8,10,13,16H,9,11H2,1-4H3
InChIKeyLXSUUNZDQXSGEJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.53
Rot. Bonds6

About N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine

N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine (PubChem CID 60883726) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine
PubChem CID60883726
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)=CCOc1cccc(CNC(C)C)c1
InChIInChI=1S/C15H23NO/c1-12(2)8-9-17-15-7-5-6-14(10-15)11-16-13(3)4/h5-8,10,13,16H,9,11H2,1-4H3
InChIKeyLXSUUNZDQXSGEJ-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 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 ≤ 53.53
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

2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
N-[[3-(2-chloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60883728
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
CID 54929170
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853
N-[[3-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473285
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
1-chloro-3-(3-methylbut-2-enoxy)benzene
CID 60644549
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine (CID 60883726) is N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine is CC(C)=CCOc1cccc(CNC(C)C)c1.
What is the InChIKey of N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine?
The InChIKey is LXSUUNZDQXSGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)8-9-17-15-7-5-6-14(10-15)11-16-13(3)4/h5-8,10,13,16H,9,11H2,1-4H3.
What are the key properties of N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine?
N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60883726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).