N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine

C17H21NS — CID 44568694

IUPACN,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine
SMILESCSc1ccc(Cc2ccccc2CN(C)C)cc1
InChIInChI=1S/C17H21NS/c1-18(2)13-16-7-5-4-6-15(16)12-14-8-10-17(19-3)11-9-14/h4-11H,12-13H2,1-3H3
InChIKeyQBOITYXCKDGUNE-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.06
Rot. Bonds5

About N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine

N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine (PubChem CID 44568694) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine
PubChem CID44568694
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine
SMILESCSc1ccc(Cc2ccccc2CN(C)C)cc1
InChIInChI=1S/C17H21NS/c1-18(2)13-16-7-5-4-6-15(16)12-14-8-10-17(19-3)11-9-14/h4-11H,12-13H2,1-3H3
InChIKeyQBOITYXCKDGUNE-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Captodiame
CID 10240
Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methyl-11c-thio)phenyl)-, (6S,10bR)-
CID 449842
Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-
CID 6336338
N,N-dimethyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882974
6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
CID 146920
Mcn-5652, (+)-
CID 3036461
(6S,10bS)-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44281933
1-[4-(Methylthio)benzyl]azepane
CID 791371
4-Benzyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 1377005
4-[4-(Methylthio)benzyl]thiomorpholine
CID 1377280
N,N-dimethyl(2-(4-(trifluoromethyl)phenylthio)phenyl)methanamine
CID 16640939
N,N-dimethyl(2-(4-(methylthio)phenylthio)phenyl)methanamine
CID 24103136

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine (CID 44568694) is N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine is CSc1ccc(Cc2ccccc2CN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine?
The InChIKey is QBOITYXCKDGUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-18(2)13-16-7-5-4-6-15(16)12-14-8-10-17(19-3)11-9-14/h4-11H,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine?
N,N-dimethyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine has a molecular weight of 271.43 g/mol, XLogP of 4.06, 5 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-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine is sourced from PubChem (CID 44568694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).