N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21NO — CID 23371269

IUPACN-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOC1c2ccccc2CCC1NCc1ccccc1
InChIInChI=1S/C18H21NO/c1-20-18-16-10-6-5-9-15(16)11-12-17(18)19-13-14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3
InChIKeyXAZGBMMQEVAQHF-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.48
Rot. Bonds4

About N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 23371269) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID23371269
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOC1c2ccccc2CCC1NCc1ccccc1
InChIInChI=1S/C18H21NO/c1-20-18-16-10-6-5-9-15(16)11-12-17(18)19-13-14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3
InChIKeyXAZGBMMQEVAQHF-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 23371269) is N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COC1c2ccccc2CCC1NCc1ccccc1.
What is the InChIKey of N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XAZGBMMQEVAQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-18-16-10-6-5-9-15(16)11-12-17(18)19-13-14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3.
What are the key properties of N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 23371269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).