N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C20H25NS — CID 143248318

IUPACN,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCN(C)CCC1CCCc2cc(Sc3ccccc3)ccc21
InChIInChI=1S/C20H25NS/c1-21(2)14-13-16-7-6-8-17-15-19(11-12-20(16)17)22-18-9-4-3-5-10-18/h3-5,9-12,15-16H,6-8,13-14H2,1-2H3
InChIKeyDYPFQMXIYBPXKV-UHFFFAOYSA-N
MW311.49 g/mol
LogP5.21
Rot. Bonds5

About N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 143248318) has the molecular formula C20H25NS and a molecular weight of 311.49 g/mol. Its IUPAC name is N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID143248318
Molecular FormulaC20H25NS
Molecular Weight311.49 g/mol
Exact Mass311.17
IUPAC NameN,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCN(C)CCC1CCCc2cc(Sc3ccccc3)ccc21
InChIInChI=1S/C20H25NS/c1-21(2)14-13-16-7-6-8-17-15-19(11-12-20(16)17)22-18-9-4-3-5-10-18/h3-5,9-12,15-16H,6-8,13-14H2,1-2H3
InChIKeyDYPFQMXIYBPXKV-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methylazanium
CID 147928547
5-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 22998540
(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59021705
ethyl 2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 143248362
3-[(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77104942
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172842465
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
tert-butyl N-[[(1R)-6-(3-methoxyphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 59021793
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 158406274
1-N,1-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butane-1,3-diamine
CID 63771246

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 143248318) is N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is CN(C)CCC1CCCc2cc(Sc3ccccc3)ccc21.
What is the InChIKey of N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is DYPFQMXIYBPXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NS/c1-21(2)14-13-16-7-6-8-17-15-19(11-12-20(16)17)22-18-9-4-3-5-10-18/h3-5,9-12,15-16H,6-8,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 311.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 143248318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).