N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine

C19H23NS — CID 7107406

IUPACN,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine
SMILESCN(C)Cc1ccccc1Sc1ccc2c(c1)CCCC2
InChIInChI=1S/C19H23NS/c1-20(2)14-17-9-5-6-10-19(17)21-18-12-11-15-7-3-4-8-16(15)13-18/h5-6,9-13H,3-4,7-8,14H2,1-2H3
InChIKeyDVLUMXSRCRLLMQ-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.78
Rot. Bonds4

About N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine

N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine (PubChem CID 7107406) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine
PubChem CID7107406
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine
SMILESCN(C)Cc1ccccc1Sc1ccc2c(c1)CCCC2
InChIInChI=1S/C19H23NS/c1-20(2)14-17-9-5-6-10-19(17)21-18-12-11-15-7-3-4-8-16(15)13-18/h5-6,9-13H,3-4,7-8,14H2,1-2H3
InChIKeyDVLUMXSRCRLLMQ-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine (CID 7107406) is N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine is CN(C)Cc1ccccc1Sc1ccc2c(c1)CCCC2.
What is the InChIKey of N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine?
The InChIKey is DVLUMXSRCRLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-20(2)14-17-9-5-6-10-19(17)21-18-12-11-15-7-3-4-8-16(15)13-18/h5-6,9-13H,3-4,7-8,14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine?
N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine has a molecular weight of 297.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 7107406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).