2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine

C17H21NO — CID 54930367

IUPAC2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
SMILESCC(C)=CCOc1ccc2ccccc2c1CCN
InChIInChI=1S/C17H21NO/c1-13(2)10-12-19-17-8-7-14-5-3-4-6-15(14)16(17)9-11-18/h3-8,10H,9,11-12,18H2,1-2H3
InChIKeyIEIOPSSBXNYAOE-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.69
Rot. Bonds5

About 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine

2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine (PubChem CID 54930367) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
PubChem CID54930367
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
SMILESCC(C)=CCOc1ccc2ccccc2c1CCN
InChIInChI=1S/C17H21NO/c1-13(2)10-12-19-17-8-7-14-5-3-4-6-15(14)16(17)9-11-18/h3-8,10H,9,11-12,18H2,1-2H3
InChIKeyIEIOPSSBXNYAOE-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.69
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-[2-(2-bromoprop-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930321
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
CID 115943256
potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
CID 63677250
2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
2-[1-(2-aminoethyl)naphthalen-2-yl]oxy-N-cyclopropylacetamide
CID 60906439
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
2-[1-(2-aminoethyl)naphthalen-2-yl]oxy-N-ethylpropanamide
CID 60906013
2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine?
The IUPAC name of 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine (CID 54930367) is 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine is CC(C)=CCOc1ccc2ccccc2c1CCN.
What is the InChIKey of 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine?
The InChIKey is IEIOPSSBXNYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)10-12-19-17-8-7-14-5-3-4-6-15(14)16(17)9-11-18/h3-8,10H,9,11-12,18H2,1-2H3.
What are the key properties of 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine?
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine is sourced from PubChem (CID 54930367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).