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

C18H20ClN — CID 63400274

IUPAC2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1ccccc1Cl
InChIInChI=1S/C18H20ClN/c1-20-18-15(12-14-7-3-5-9-17(14)19)11-10-13-6-2-4-8-16(13)18/h2-9,15,18,20H,10-12H2,1H3
InChIKeyNSBPJLFYQBHDGF-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.41
Rot. Bonds3

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

2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63400274) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63400274
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1ccccc1Cl
InChIInChI=1S/C18H20ClN/c1-20-18-15(12-14-7-3-5-9-17(14)19)11-10-13-6-2-4-8-16(13)18/h2-9,15,18,20H,10-12H2,1H3
InChIKeyNSBPJLFYQBHDGF-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63400274) is 2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NSBPJLFYQBHDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-20-18-15(12-14-7-3-5-9-17(14)19)11-10-13-6-2-4-8-16(13)18/h2-9,15,18,20H,10-12H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.82 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63400274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).