3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine

C15H17NO — CID 142977536

IUPAC3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine
SMILESC=C(CC(N)c1ccc2ccccc2c1)OC
InChIInChI=1S/C15H17NO/c1-11(17-2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15H,1,9,16H2,2H3
InChIKeyQWPOQEHBVSYXCD-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.39
Rot. Bonds4

About 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine

3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine (PubChem CID 142977536) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine
PubChem CID142977536
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine
SMILESC=C(CC(N)c1ccc2ccccc2c1)OC
InChIInChI=1S/C15H17NO/c1-11(17-2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15H,1,9,16H2,2H3
InChIKeyQWPOQEHBVSYXCD-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
CID 103025801
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
(3-methyl-1-naphthalen-2-ylbut-3-enyl)hydrazine
CID 105213410
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
CID 116933649
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine?
The IUPAC name of 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine (CID 142977536) is 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine.
What is the SMILES notation for 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine?
The canonical SMILES for 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine is C=C(CC(N)c1ccc2ccccc2c1)OC.
What is the InChIKey of 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine?
The InChIKey is QWPOQEHBVSYXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(17-2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15H,1,9,16H2,2H3.
What are the key properties of 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine?
3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine has a molecular weight of 227.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine is sourced from PubChem (CID 142977536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).