(2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C19H23NO — CID 23364201

IUPAC(2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCOc1cccc2c1C(CN)C(Cc1ccccc1)CC2
InChIInChI=1S/C19H23NO/c1-21-18-9-5-8-15-10-11-16(17(13-20)19(15)18)12-14-6-3-2-4-7-14/h2-9,16-17H,10-13,20H2,1H3
InChIKeyHQRZXZCWJMOMPZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.54
Rot. Bonds4

About (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

(2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 23364201) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID23364201
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCOc1cccc2c1C(CN)C(Cc1ccccc1)CC2
InChIInChI=1S/C19H23NO/c1-21-18-9-5-8-15-10-11-16(17(13-20)19(15)18)12-14-6-3-2-4-7-14/h2-9,16-17H,10-13,20H2,1H3
InChIKeyHQRZXZCWJMOMPZ-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 23364201) is (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is COc1cccc2c1C(CN)C(Cc1ccccc1)CC2.
What is the InChIKey of (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is HQRZXZCWJMOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-18-9-5-8-15-10-11-16(17(13-20)19(15)18)12-14-6-3-2-4-7-14/h2-9,16-17H,10-13,20H2,1H3.
What are the key properties of (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 23364201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).