4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine

C16H17NO — CID 63996890

IUPAC4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
SMILESCOc1ccc2cc(C#CC(C)(C)N)ccc2c1
InChIInChI=1S/C16H17NO/c1-16(2,17)9-8-12-4-5-14-11-15(18-3)7-6-13(14)10-12/h4-7,10-11H,17H2,1-3H3
InChIKeyFDLNVMRJJVIVGO-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.94
Rot. Bonds1

About 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine

4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine (PubChem CID 63996890) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
PubChem CID63996890
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
SMILESCOc1ccc2cc(C#CC(C)(C)N)ccc2c1
InChIInChI=1S/C16H17NO/c1-16(2,17)9-8-12-4-5-14-11-15(18-3)7-6-13(14)10-12/h4-7,10-11H,17H2,1-3H3
InChIKeyFDLNVMRJJVIVGO-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-dimethoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63997283
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
CID 146003588
1-(6-methoxynaphthalen-2-yl)-3-methylnon-1-yn-3-ol
CID 146003590
4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63997086
1,5-bis(4-methoxyphenyl)-3-methylpenta-1,4-diyn-3-ol
CID 139242349
2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
CID 54995772
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
2-(3-methoxy-3-methylbut-1-ynyl)naphthalene
CID 67737859
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
2,7-bis[2-(3-methoxyphenyl)ethynyl]naphthalene
CID 171920371
2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene
CID 67211942
1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol
CID 122382303

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine (CID 63996890) is 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine is COc1ccc2cc(C#CC(C)(C)N)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine?
The InChIKey is FDLNVMRJJVIVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2,17)9-8-12-4-5-14-11-15(18-3)7-6-13(14)10-12/h4-7,10-11H,17H2,1-3H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine?
4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63996890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).