2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine

C18H25NO — CID 43105278

IUPAC2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
SMILESCC(C)CC(C)OCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-13(2)10-14(3)20-12-18(19)17-9-8-15-6-4-5-7-16(15)11-17/h4-9,11,13-14,18H,10,12,19H2,1-3H3
InChIKeyQFIIQHSYKAMGBF-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.29
Rot. Bonds6

About 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine

2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine (PubChem CID 43105278) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
PubChem CID43105278
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
SMILESCC(C)CC(C)OCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-13(2)10-14(3)20-12-18(19)17-9-8-15-6-4-5-7-16(15)11-17/h4-9,11,13-14,18H,10,12,19H2,1-3H3
InChIKeyQFIIQHSYKAMGBF-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

2-butan-2-yloxy-1-naphthalen-2-ylethanamine
CID 54944139
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
1-naphthalen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275229
1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43184290
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
2-(4-ethoxypentan-2-yl)naphthalene
CID 129253076
2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
CID 66234275
1-naphthalen-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16780890
2-amino-2-naphthalen-2-ylethanesulfonic acid;ethane
CID 142982277
2-(3-methylphenoxy)-1-naphthalen-2-ylethanamine
CID 43093388
1-naphthalen-2-ylethanamine
CID 3857145
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine (CID 43105278) is 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine is CC(C)CC(C)OCC(N)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine?
The InChIKey is QFIIQHSYKAMGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(2)10-14(3)20-12-18(19)17-9-8-15-6-4-5-7-16(15)11-17/h4-9,11,13-14,18H,10,12,19H2,1-3H3.
What are the key properties of 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine?
2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 43105278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).