3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine

C16H23NO — CID 138716030

IUPAC3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1cccc2c1=CCCC=2
InChIInChI=1S/C16H23NO/c1-13(2)17-11-6-12-18-16-10-5-8-14-7-3-4-9-15(14)16/h5,7-10,13,17H,3-4,6,11-12H2,1-2H3
InChIKeyQBSQVQYKYRQTFQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.81
Rot. Bonds6

About 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine

3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine (PubChem CID 138716030) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine
PubChem CID138716030
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1cccc2c1=CCCC=2
InChIInChI=1S/C16H23NO/c1-13(2)17-11-6-12-18-16-10-5-8-14-7-3-4-9-15(14)16/h5,7-10,13,17H,3-4,6,11-12H2,1-2H3
InChIKeyQBSQVQYKYRQTFQ-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine (CID 138716030) is 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine is CC(C)NCCCOc1cccc2c1=CCCC=2.
What is the InChIKey of 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is QBSQVQYKYRQTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)17-11-6-12-18-16-10-5-8-14-7-3-4-9-15(14)16/h5,7-10,13,17H,3-4,6,11-12H2,1-2H3.
What are the key properties of 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine?
3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydronaphthalen-1-yloxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 138716030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).