2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine

C19H23NS — CID 115531800

IUPAC2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCSc1ccc(NC2c3ccccc3CCC2(C)C)cc1
InChIInChI=1S/C19H23NS/c1-19(2)13-12-14-6-4-5-7-17(14)18(19)20-15-8-10-16(21-3)11-9-15/h4-11,18,20H,12-13H2,1-3H3
InChIKeyKXCYTLOAHVALQS-UHFFFAOYSA-N
MW297.47 g/mol
LogP5.53
Rot. Bonds3

About 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine

2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115531800) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115531800
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCSc1ccc(NC2c3ccccc3CCC2(C)C)cc1
InChIInChI=1S/C19H23NS/c1-19(2)13-12-14-6-4-5-7-17(14)18(19)20-15-8-10-16(21-3)11-9-15/h4-11,18,20H,12-13H2,1-3H3
InChIKeyKXCYTLOAHVALQS-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine
CID 82820959
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine
CID 113329807
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
CID 115531786
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-5-methylpyridin-3-amine
CID 107584671
N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531888
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine
CID 83010508
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43759178
2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine
CID 82796504
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531796
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine
CID 115531969
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-(2-chloro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531891

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine (CID 115531800) is 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine is CSc1ccc(NC2c3ccccc3CCC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is KXCYTLOAHVALQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-19(2)13-12-14-6-4-5-7-17(14)18(19)20-15-8-10-16(21-3)11-9-15/h4-11,18,20H,12-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine?
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 297.47 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115531800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).