6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H20ClN — CID 67978432

IUPAC6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2cc(-c3cccc(Cl)c3)ccc2C1
InChIInChI=1S/C18H20ClN/c1-20(2)18-9-8-15-10-14(6-7-16(15)12-18)13-4-3-5-17(19)11-13/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyFDFWTJWMADDOIN-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.43
Rot. Bonds2

About 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 67978432) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID67978432
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2cc(-c3cccc(Cl)c3)ccc2C1
InChIInChI=1S/C18H20ClN/c1-20(2)18-9-8-15-10-14(6-7-16(15)12-18)13-4-3-5-17(19)11-13/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyFDFWTJWMADDOIN-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 67978432) is 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1CCc2cc(-c3cccc(Cl)c3)ccc2C1.
What is the InChIKey of 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FDFWTJWMADDOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-20(2)18-9-8-15-10-14(6-7-16(15)12-18)13-4-3-5-17(19)11-13/h3-7,10-11,18H,8-9,12H2,1-2H3.
What are the key properties of 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 285.82 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 67978432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).