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

C17H23NO — CID 44590779

IUPAC1-(6-butoxynaphthalen-2-yl)propan-2-amine
SMILESCCCCOc1ccc2cc(CC(C)N)ccc2c1
InChIInChI=1S/C17H23NO/c1-3-4-9-19-17-8-7-15-11-14(10-13(2)18)5-6-16(15)12-17/h5-8,11-13H,3-4,9-10,18H2,1-2H3
InChIKeyHQJXBGMWVQCDJS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.91
Rot. Bonds6

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

1-(6-butoxynaphthalen-2-yl)propan-2-amine (PubChem CID 44590779) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(6-butoxynaphthalen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-butoxynaphthalen-2-yl)propan-2-amine
PubChem CID44590779
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(6-butoxynaphthalen-2-yl)propan-2-amine
SMILESCCCCOc1ccc2cc(CC(C)N)ccc2c1
InChIInChI=1S/C17H23NO/c1-3-4-9-19-17-8-7-15-11-14(10-13(2)18)5-6-16(15)12-17/h5-8,11-13H,3-4,9-10,18H2,1-2H3
InChIKeyHQJXBGMWVQCDJS-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.91
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 1-(6-butoxynaphthalen-2-yl)propan-2-amine?
The IUPAC name of 1-(6-butoxynaphthalen-2-yl)propan-2-amine (CID 44590779) is 1-(6-butoxynaphthalen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(6-butoxynaphthalen-2-yl)propan-2-amine?
The canonical SMILES for 1-(6-butoxynaphthalen-2-yl)propan-2-amine is CCCCOc1ccc2cc(CC(C)N)ccc2c1.
What is the InChIKey of 1-(6-butoxynaphthalen-2-yl)propan-2-amine?
The InChIKey is HQJXBGMWVQCDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-4-9-19-17-8-7-15-11-14(10-13(2)18)5-6-16(15)12-17/h5-8,11-13H,3-4,9-10,18H2,1-2H3.
What are the key properties of 1-(6-butoxynaphthalen-2-yl)propan-2-amine?
1-(6-butoxynaphthalen-2-yl)propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butoxynaphthalen-2-yl)propan-2-amine is sourced from PubChem (CID 44590779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).