1-(6-propoxynaphthalen-2-yl)propan-2-amine

C16H21NO — CID 44590295

IUPAC1-(6-propoxynaphthalen-2-yl)propan-2-amine
SMILESCCCOc1ccc2cc(CC(C)N)ccc2c1
InChIInChI=1S/C16H21NO/c1-3-8-18-16-7-6-14-10-13(9-12(2)17)4-5-15(14)11-16/h4-7,10-12H,3,8-9,17H2,1-2H3
InChIKeyCRXAYNAYXGFRGO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.52
Rot. Bonds5

About 1-(6-propoxynaphthalen-2-yl)propan-2-amine

1-(6-propoxynaphthalen-2-yl)propan-2-amine (PubChem CID 44590295) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(6-propoxynaphthalen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-propoxynaphthalen-2-yl)propan-2-amine
PubChem CID44590295
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(6-propoxynaphthalen-2-yl)propan-2-amine
SMILESCCCOc1ccc2cc(CC(C)N)ccc2c1
InChIInChI=1S/C16H21NO/c1-3-8-18-16-7-6-14-10-13(9-12(2)17)4-5-15(14)11-16/h4-7,10-12H,3,8-9,17H2,1-2H3
InChIKeyCRXAYNAYXGFRGO-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-propoxynaphthalen-2-yl)propan-2-amine?
The IUPAC name of 1-(6-propoxynaphthalen-2-yl)propan-2-amine (CID 44590295) is 1-(6-propoxynaphthalen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(6-propoxynaphthalen-2-yl)propan-2-amine?
The canonical SMILES for 1-(6-propoxynaphthalen-2-yl)propan-2-amine is CCCOc1ccc2cc(CC(C)N)ccc2c1.
What is the InChIKey of 1-(6-propoxynaphthalen-2-yl)propan-2-amine?
The InChIKey is CRXAYNAYXGFRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-8-18-16-7-6-14-10-13(9-12(2)17)4-5-15(14)11-16/h4-7,10-12H,3,8-9,17H2,1-2H3.
What are the key properties of 1-(6-propoxynaphthalen-2-yl)propan-2-amine?
1-(6-propoxynaphthalen-2-yl)propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propoxynaphthalen-2-yl)propan-2-amine is sourced from PubChem (CID 44590295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).