6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H19NO — CID 166257815

IUPAC6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccccc1-c1ccc2c(c1)CCC(N)C2
InChIInChI=1S/C17H19NO/c1-19-17-5-3-2-4-16(17)14-7-6-13-11-15(18)9-8-12(13)10-14/h2-7,10,15H,8-9,11,18H2,1H3
InChIKeyXRTOFQVBOZQTPX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.18
Rot. Bonds2

About 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 166257815) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID166257815
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccccc1-c1ccc2c(c1)CCC(N)C2
InChIInChI=1S/C17H19NO/c1-19-17-5-3-2-4-16(17)14-7-6-13-11-15(18)9-8-12(13)10-14/h2-7,10,15H,8-9,11,18H2,1H3
InChIKeyXRTOFQVBOZQTPX-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 166257815) is 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccccc1-c1ccc2c(c1)CCC(N)C2.
What is the InChIKey of 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XRTOFQVBOZQTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-17-5-3-2-4-16(17)14-7-6-13-11-15(18)9-8-12(13)10-14/h2-7,10,15H,8-9,11,18H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 253.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 166257815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).