2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine

C15H21NO — CID 105490126

IUPAC2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1=Cc2c(cccc2OC)CC1
InChIInChI=1S/C15H21NO/c1-15(2,16-3)12-9-8-11-6-5-7-14(17-4)13(11)10-12/h5-7,10,16H,8-9H2,1-4H3
InChIKeyHXAKXPDSJGSQRU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds3

About 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine

2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine (PubChem CID 105490126) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine
PubChem CID105490126
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1=Cc2c(cccc2OC)CC1
InChIInChI=1S/C15H21NO/c1-15(2,16-3)12-9-8-11-6-5-7-14(17-4)13(11)10-12/h5-7,10,16H,8-9H2,1-4H3
InChIKeyHXAKXPDSJGSQRU-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine (CID 105490126) is 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine is CNC(C)(C)C1=Cc2c(cccc2OC)CC1.
What is the InChIKey of 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine?
The InChIKey is HXAKXPDSJGSQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,16-3)12-9-8-11-6-5-7-14(17-4)13(11)10-12/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine?
2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105490126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).