2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine

C15H19NO — CID 105487005

IUPAC2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine
SMILESCOc1cccc2c(C(C)(C)CN)cccc12
InChIInChI=1S/C15H19NO/c1-15(2,10-16)13-8-4-7-12-11(13)6-5-9-14(12)17-3/h4-9H,10,16H2,1-3H3
InChIKeyBQIBHCDPHIAEAI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.08
Rot. Bonds3

About 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine

2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine (PubChem CID 105487005) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine
PubChem CID105487005
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine
SMILESCOc1cccc2c(C(C)(C)CN)cccc12
InChIInChI=1S/C15H19NO/c1-15(2,10-16)13-8-4-7-12-11(13)6-5-9-14(12)17-3/h4-9H,10,16H2,1-3H3
InChIKeyBQIBHCDPHIAEAI-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxynaphthalen-1-yl)propan-2-amine
CID 105468872
2-(8-methoxynaphthalen-2-yl)-2-methylpropan-1-amine
CID 105487006
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine
CID 82576978
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 79837338
2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine
CID 534065
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
2-(2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117322280
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364
3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 105483183
2-(2-methoxy-3-pyridinyl)-2-methylpropan-1-amine
CID 130543295

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine (CID 105487005) is 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine is COc1cccc2c(C(C)(C)CN)cccc12.
What is the InChIKey of 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine?
The InChIKey is BQIBHCDPHIAEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2,10-16)13-8-4-7-12-11(13)6-5-9-14(12)17-3/h4-9H,10,16H2,1-3H3.
What are the key properties of 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine?
2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 105487005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).