5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21NO — CID 65454391

IUPAC5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCCc3ccccc3)cccc21
InChIInChI=1S/C18H21NO/c19-17-10-4-9-16-15(17)8-5-11-18(16)20-13-12-14-6-2-1-3-7-14/h1-3,5-8,11,17H,4,9-10,12-13,19H2
InChIKeyVDUUXSCBUPTRDX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.64
Rot. Bonds4

About 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65454391) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65454391
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCCc3ccccc3)cccc21
InChIInChI=1S/C18H21NO/c19-17-10-4-9-16-15(17)8-5-11-18(16)20-13-12-14-6-2-1-3-7-14/h1-3,5-8,11,17H,4,9-10,12-13,19H2
InChIKeyVDUUXSCBUPTRDX-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44580318
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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65454391) is 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2c(OCCc3ccccc3)cccc21.
What is the InChIKey of 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VDUUXSCBUPTRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-17-10-4-9-16-15(17)8-5-11-18(16)20-13-12-14-6-2-1-3-7-14/h1-3,5-8,11,17H,4,9-10,12-13,19H2.
What are the key properties of 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65454391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).