N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine

C19H23NS — CID 63804914

IUPACN-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(Sc2ccc(CNC3CC3)c(C)c2)c(C)c1
InChIInChI=1S/C19H23NS/c1-13-4-9-19(15(3)10-13)21-18-8-5-16(14(2)11-18)12-20-17-6-7-17/h4-5,8-11,17,20H,6-7,12H2,1-3H3
InChIKeyLJUULRWPANCOIJ-UHFFFAOYSA-N
MW297.47 g/mol
LogP5.02
Rot. Bonds5

About N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine

N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine (PubChem CID 63804914) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine
PubChem CID63804914
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(Sc2ccc(CNC3CC3)c(C)c2)c(C)c1
InChIInChI=1S/C19H23NS/c1-13-4-9-19(15(3)10-13)21-18-8-5-16(14(2)11-18)12-20-17-6-7-17/h4-5,8-11,17,20H,6-7,12H2,1-3H3
InChIKeyLJUULRWPANCOIJ-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine
CID 63814537
N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 106926606
4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
CID 43436438
N-[[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160769
N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471992
N-[[4-bromo-2-(2,5-dimethylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806540
ethyl 4-[(2,4-dimethylphenyl)methylamino]cyclohexane-1-carboxylate
CID 60934439
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
N-[[5-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 114055458
N-[[3-chloro-4-(3-methylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81159406
N-[[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 114864936
N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine
CID 107430275

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine (CID 63804914) is N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine is Cc1ccc(Sc2ccc(CNC3CC3)c(C)c2)c(C)c1.
What is the InChIKey of N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine?
The InChIKey is LJUULRWPANCOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-13-4-9-19(15(3)10-13)21-18-8-5-16(14(2)11-18)12-20-17-6-7-17/h4-5,8-11,17,20H,6-7,12H2,1-3H3.
What are the key properties of N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine?
N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine has a molecular weight of 297.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63804914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).