N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine

C14H21NO — CID 60878952

IUPACN-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC=C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-15-11-13-5-7-14(8-6-13)16-10-9-12(2)3/h5-9,15H,4,10-11H2,1-3H3
InChIKeyYQSJRHBEYOUUAF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds6

About N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine

N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine (PubChem CID 60878952) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
PubChem CID60878952
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC=C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-15-11-13-5-7-14(8-6-13)16-10-9-12(2)3/h5-9,15H,4,10-11H2,1-3H3
InChIKeyYQSJRHBEYOUUAF-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
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

N-[(4-butoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 114154712
2-[4-(3-methylbut-2-enoxy)phenyl]acetonitrile
CID 5315425
1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
CID 115495898
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
CID 54241821
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine
CID 78937175
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine
CID 114470804
N-[[3-methyl-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 112609072
N-[[4-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513082

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine (CID 60878952) is N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OCC=C(C)C)cc1.
What is the InChIKey of N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
The InChIKey is YQSJRHBEYOUUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15-11-13-5-7-14(8-6-13)16-10-9-12(2)3/h5-9,15H,4,10-11H2,1-3H3.
What are the key properties of N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 60878952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).