1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine

C15H23NO — CID 117339388

IUPAC1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
SMILESCOc1cc2c(cc1CC(C)(C)N)CCCC2
InChIInChI=1S/C15H23NO/c1-15(2,16)10-13-8-11-6-4-5-7-12(11)9-14(13)17-3/h8-9H,4-7,10,16H2,1-3H3
InChIKeyQISGPGCQAYZLQY-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.85
Rot. Bonds3

About 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine

1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine (PubChem CID 117339388) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
PubChem CID117339388
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
SMILESCOc1cc2c(cc1CC(C)(C)N)CCCC2
InChIInChI=1S/C15H23NO/c1-15(2,16)10-13-8-11-6-4-5-7-12(11)9-14(13)17-3/h8-9H,4-7,10,16H2,1-3H3
InChIKeyQISGPGCQAYZLQY-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313360
1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117371832
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117382057
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
CID 170890550
3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
CID 170999674
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine
CID 117423845

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine (CID 117339388) is 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine is COc1cc2c(cc1CC(C)(C)N)CCCC2.
What is the InChIKey of 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
The InChIKey is QISGPGCQAYZLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,16)10-13-8-11-6-4-5-7-12(11)9-14(13)17-3/h8-9H,4-7,10,16H2,1-3H3.
What are the key properties of 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117339388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).