7-methoxy-6-propan-2-yloxynaphthalen-1-amine

C14H17NO2 — CID 11096447

IUPAC7-methoxy-6-propan-2-yloxynaphthalen-1-amine
SMILESCOc1cc2c(N)cccc2cc1OC(C)C
InChIInChI=1S/C14H17NO2/c1-9(2)17-14-7-10-5-4-6-12(15)11(10)8-13(14)16-3/h4-9H,15H2,1-3H3
InChIKeyUZOJAOFSWYQNHP-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.22
Rot. Bonds3

About 7-methoxy-6-propan-2-yloxynaphthalen-1-amine

7-methoxy-6-propan-2-yloxynaphthalen-1-amine (PubChem CID 11096447) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 7-methoxy-6-propan-2-yloxynaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-6-propan-2-yloxynaphthalen-1-amine
PubChem CID11096447
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name7-methoxy-6-propan-2-yloxynaphthalen-1-amine
SMILESCOc1cc2c(N)cccc2cc1OC(C)C
InChIInChI=1S/C14H17NO2/c1-9(2)17-14-7-10-5-4-6-12(15)11(10)8-13(14)16-3/h4-9H,15H2,1-3H3
InChIKeyUZOJAOFSWYQNHP-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-propan-2-yloxynaphthalen-1-amine?
The IUPAC name of 7-methoxy-6-propan-2-yloxynaphthalen-1-amine (CID 11096447) is 7-methoxy-6-propan-2-yloxynaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-6-propan-2-yloxynaphthalen-1-amine?
The canonical SMILES for 7-methoxy-6-propan-2-yloxynaphthalen-1-amine is COc1cc2c(N)cccc2cc1OC(C)C.
What is the InChIKey of 7-methoxy-6-propan-2-yloxynaphthalen-1-amine?
The InChIKey is UZOJAOFSWYQNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)17-14-7-10-5-4-6-12(15)11(10)8-13(14)16-3/h4-9H,15H2,1-3H3.
What are the key properties of 7-methoxy-6-propan-2-yloxynaphthalen-1-amine?
7-methoxy-6-propan-2-yloxynaphthalen-1-amine has a molecular weight of 231.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-propan-2-yloxynaphthalen-1-amine is sourced from PubChem (CID 11096447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).