2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine

C18H25NO — CID 66234275

IUPAC2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
SMILESCC(C)(C)CCOCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-18(2,3)10-11-20-13-17(19)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,10-11,13,19H2,1-3H3
InChIKeySWAWPITXFRXQJB-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.29
Rot. Bonds5

About 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine

2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine (PubChem CID 66234275) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
PubChem CID66234275
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
SMILESCC(C)(C)CCOCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-18(2,3)10-11-20-13-17(19)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,10-11,13,19H2,1-3H3
InChIKeySWAWPITXFRXQJB-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.29
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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Related Compounds

1-naphthalen-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16780890
1-naphthalen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275229
2-(3,3-dimethylbutoxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107523803
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
CID 103025801
3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
CID 116933649
2-butan-2-yloxy-1-naphthalen-2-ylethanamine
CID 54944139
2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
CID 43105278
2-(3-methylphenoxy)-1-naphthalen-2-ylethanamine
CID 43093388
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine (CID 66234275) is 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine is CC(C)(C)CCOCC(N)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine?
The InChIKey is SWAWPITXFRXQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-18(2,3)10-11-20-13-17(19)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,10-11,13,19H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine?
2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 66234275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).