1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine

C16H25NO — CID 112592209

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC(C)(C)OCCC1(N)CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-15(2,3)18-12-11-16(17)10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9H,6,8,10-12,17H2,1-3H3
InChIKeyVQCQKFYCRGQYST-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.38
Rot. Bonds3

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 112592209) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID112592209
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC(C)(C)OCCC1(N)CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-15(2,3)18-12-11-16(17)10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9H,6,8,10-12,17H2,1-3H3
InChIKeyVQCQKFYCRGQYST-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine (CID 112592209) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine is CC(C)(C)OCCC1(N)CCCc2ccccc21.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is VQCQKFYCRGQYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)18-12-11-16(17)10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9H,6,8,10-12,17H2,1-3H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 112592209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).