1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine

C16H19NO — CID 115506222

IUPAC1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
SMILESC=C(C)C(N)Cc1cccc2ccc(OC)cc12
InChIInChI=1S/C16H19NO/c1-11(2)16(17)9-13-6-4-5-12-7-8-14(18-3)10-15(12)13/h4-8,10,16H,1,9,17H2,2-3H3
InChIKeySRWXXBZQIVALSF-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.29
Rot. Bonds4

About 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine

1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine (PubChem CID 115506222) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
PubChem CID115506222
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
SMILESC=C(C)C(N)Cc1cccc2ccc(OC)cc12
InChIInChI=1S/C16H19NO/c1-11(2)16(17)9-13-6-4-5-12-7-8-14(18-3)10-15(12)13/h4-8,10,16H,1,9,17H2,2-3H3
InChIKeySRWXXBZQIVALSF-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.29
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-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207
1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine
CID 115506237
1-(7-methoxynaphthalen-1-yl)-3-phenylpropan-2-ol
CID 115506158
1-(7-methoxynaphthalen-1-yl)-4-methylsulfonylbutan-2-amine
CID 115506223
[1-(7-methoxynaphthalen-1-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105260340
1-(furan-3-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506225
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol
CID 83148133
1-methoxy-3-(7-methoxynaphthalen-1-yl)-N-methylpropan-2-amine
CID 115506270
1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506218

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine?
The IUPAC name of 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine (CID 115506222) is 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine.
What is the SMILES notation for 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine?
The canonical SMILES for 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine is C=C(C)C(N)Cc1cccc2ccc(OC)cc12.
What is the InChIKey of 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine?
The InChIKey is SRWXXBZQIVALSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)16(17)9-13-6-4-5-12-7-8-14(18-3)10-15(12)13/h4-8,10,16H,1,9,17H2,2-3H3.
What are the key properties of 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine?
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine has a molecular weight of 241.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine is sourced from PubChem (CID 115506222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).