N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C19H23NO2 — CID 2850800

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc(CNC2CCCc3ccccc32)c1OC
InChIInChI=1S/C19H23NO2/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3
InChIKeyBVXPLFANJOANFL-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.87
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 2850800) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID2850800
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc(CNC2CCCc3ccccc32)c1OC
InChIInChI=1S/C19H23NO2/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3
InChIKeyBVXPLFANJOANFL-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 2850800) is N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cccc(CNC2CCCc3ccccc32)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BVXPLFANJOANFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 2850800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).