N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine

C18H21NS — CID 66347718

IUPACN-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(CSc2cccc(CNC3CC3)c2)cc1
InChIInChI=1S/C18H21NS/c1-14-5-7-15(8-6-14)13-20-18-4-2-3-16(11-18)12-19-17-9-10-17/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeySFEGMZWCRIYLIN-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.54
Rot. Bonds6

About N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine

N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine (PubChem CID 66347718) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
PubChem CID66347718
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(CSc2cccc(CNC3CC3)c2)cc1
InChIInChI=1S/C18H21NS/c1-14-5-7-15(8-6-14)13-20-18-4-2-3-16(11-18)12-19-17-9-10-17/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeySFEGMZWCRIYLIN-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347709
N-[[3-[(2-bromophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347525
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66348106
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanylacetonitrile
CID 66348489
N-[[3-[(5-bromo-2-fluorophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66349269
N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66349069
N-[[3-(4-methylpentylsulfanyl)phenyl]methyl]cyclopropanamine
CID 83169209
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004
4-[[3-[(cyclopropylamino)methyl]phenyl]sulfanylmethyl]pyridine-2-carbonitrile
CID 66349651
N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66347132
5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
CID 66347513

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine (CID 66347718) is N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine is Cc1ccc(CSc2cccc(CNC3CC3)c2)cc1.
What is the InChIKey of N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine?
The InChIKey is SFEGMZWCRIYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-14-5-7-15(8-6-14)13-20-18-4-2-3-16(11-18)12-19-17-9-10-17/h2-8,11,17,19H,9-10,12-13H2,1H3.
What are the key properties of N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine has a molecular weight of 283.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66347718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).