4-butoxynaphthalen-1-amine

C14H17NO — CID 3041748

IUPAC4-butoxynaphthalen-1-amine
SMILESCCCCOc1ccc(N)c2ccccc12
InChIInChI=1S/C14H17NO/c1-2-3-10-16-14-9-8-13(15)11-6-4-5-7-12(11)14/h4-9H,2-3,10,15H2,1H3
InChIKeyGVTCOUMYQKHTPF-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.60
Rot. Bonds4

About 4-butoxynaphthalen-1-amine

4-butoxynaphthalen-1-amine (PubChem CID 3041748) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-butoxynaphthalen-1-amine.

Molecular Properties

Compound Name4-butoxynaphthalen-1-amine
PubChem CID3041748
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-butoxynaphthalen-1-amine
SMILESCCCCOc1ccc(N)c2ccccc12
InChIInChI=1S/C14H17NO/c1-2-3-10-16-14-9-8-13(15)11-6-4-5-7-12(11)14/h4-9H,2-3,10,15H2,1H3
InChIKeyGVTCOUMYQKHTPF-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxynaphthalen-1-amine?
The IUPAC name of 4-butoxynaphthalen-1-amine (CID 3041748) is 4-butoxynaphthalen-1-amine.
What is the SMILES notation for 4-butoxynaphthalen-1-amine?
The canonical SMILES for 4-butoxynaphthalen-1-amine is CCCCOc1ccc(N)c2ccccc12.
What is the InChIKey of 4-butoxynaphthalen-1-amine?
The InChIKey is GVTCOUMYQKHTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-10-16-14-9-8-13(15)11-6-4-5-7-12(11)14/h4-9H,2-3,10,15H2,1H3.
What are the key properties of 4-butoxynaphthalen-1-amine?
4-butoxynaphthalen-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxynaphthalen-1-amine is sourced from PubChem (CID 3041748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).