[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine

C15H17NS — CID 43530260

IUPAC[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccc(SCc2ccc(CN)cc2)cc1
InChIInChI=1S/C15H17NS/c1-12-2-8-15(9-3-12)17-11-14-6-4-13(10-16)5-7-14/h2-9H,10-11,16H2,1H3
InChIKeyNPRWJAPZFQJWKF-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.75
Rot. Bonds4

About [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine

[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine (PubChem CID 43530260) has the molecular formula C15H17NS and a molecular weight of 243.37 g/mol. Its IUPAC name is [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
PubChem CID43530260
Molecular FormulaC15H17NS
Molecular Weight243.37 g/mol
Exact Mass243.11
IUPAC Name[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccc(SCc2ccc(CN)cc2)cc1
InChIInChI=1S/C15H17NS/c1-12-2-8-15(9-3-12)17-11-14-6-4-13(10-16)5-7-14/h2-9H,10-11,16H2,1H3
InChIKeyNPRWJAPZFQJWKF-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
1-benzylsulfanyl-4-methylbenzene
CID 10940369
(4-ethylsulfanylphenyl)methanamine
CID 12842467
N-methylmethanamine;(4-methylphenyl)methanamine
CID 163390626
ethyl 4-[(4-methylphenyl)sulfanylmethyl]benzoate
CID 14927153
1-methyl-4-[(4-nitrophenyl)methylsulfanyl]benzene
CID 4247940
2-bromo-5-[(4-methylphenyl)sulfanylmethyl]aniline
CID 115558316
[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 64764660
[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine
CID 113384743
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
[4-[(3-bromo-4-fluorophenyl)methylsulfanyl]phenyl]methanamine
CID 113384694
2-[(4-methylphenyl)sulfanylmethyl]benzene-1,3-diol
CID 10538397

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine (CID 43530260) is [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine is Cc1ccc(SCc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is NPRWJAPZFQJWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-12-2-8-15(9-3-12)17-11-14-6-4-13(10-16)5-7-14/h2-9H,10-11,16H2,1H3.
What are the key properties of [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine?
[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 243.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 43530260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).