[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine

C16H19NS — CID 55112779

IUPAC[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
SMILESCc1ccccc1CSCc1ccc(CN)cc1
InChIInChI=1S/C16H19NS/c1-13-4-2-3-5-16(13)12-18-11-15-8-6-14(10-17)7-9-15/h2-9H,10-12,17H2,1H3
InChIKeyPAHWPCHEQCLTTJ-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.89
Rot. Bonds5

About [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine

[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine (PubChem CID 55112779) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
PubChem CID55112779
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
SMILESCc1ccccc1CSCc1ccc(CN)cc1
InChIInChI=1S/C16H19NS/c1-13-4-2-3-5-16(13)12-18-11-15-8-6-14(10-17)7-9-15/h2-9H,10-12,17H2,1H3
InChIKeyPAHWPCHEQCLTTJ-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107118915
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
[4-[(4-chlorophenyl)methylsulfanylmethyl]-3-methylphenyl]methanamine
CID 114790763
4-[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]but-3-yn-1-ol
CID 62769472
2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene
CID 55192429
[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 79233187
3-[2-[(2-methylphenyl)methylsulfanylmethyl]phenyl]prop-2-yn-1-amine
CID 62771774
4-[(2-methylphenyl)methylsulfanylmethyl]-2-nitroaniline
CID 62769498
(2-methylphenyl)methanamine;molecular hydrogen;propane
CID 144873800
[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine
CID 43530216
5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580707

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine?
The IUPAC name of [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine (CID 55112779) is [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine is Cc1ccccc1CSCc1ccc(CN)cc1.
What is the InChIKey of [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine?
The InChIKey is PAHWPCHEQCLTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-13-4-2-3-5-16(13)12-18-11-15-8-6-14(10-17)7-9-15/h2-9H,10-12,17H2,1H3.
What are the key properties of [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine?
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine has a molecular weight of 257.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 55112779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).