N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine

C19H23NS — CID 66347709

IUPACN-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(CSc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C19H23NS/c1-14-8-15(2)10-17(9-14)13-21-19-5-3-4-16(11-19)12-20-18-6-7-18/h3-5,8-11,18,20H,6-7,12-13H2,1-2H3
InChIKeyMKSHEUYVPMHWRM-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.85
Rot. Bonds6

About N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine

N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine (PubChem CID 66347709) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
PubChem CID66347709
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(CSc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C19H23NS/c1-14-8-15(2)10-17(9-14)13-21-19-5-3-4-16(11-19)12-20-18-6-7-18/h3-5,8-11,18,20H,6-7,12-13H2,1-2H3
InChIKeyMKSHEUYVPMHWRM-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347718
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004
N-[[3-[(2-bromophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347525
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66348106
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanylacetonitrile
CID 66348489
N-[[3-[(5-bromo-2-fluorophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66349269
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-1-phenylethanol
CID 66347327
N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66349069
N-[[3-(4-methylpentylsulfanyl)phenyl]methyl]cyclopropanamine
CID 83169209

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine (CID 66347709) is N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine is Cc1cc(C)cc(CSc2cccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine?
The InChIKey is MKSHEUYVPMHWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-14-8-15(2)10-17(9-14)13-21-19-5-3-4-16(11-19)12-20-18-6-7-18/h3-5,8-11,18,20H,6-7,12-13H2,1-2H3.
What are the key properties of N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine has a molecular weight of 297.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66347709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).