[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine

C16H19NS — CID 66354106

IUPAC[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
SMILESCc1cc(C)cc(CSc2cccc(CN)c2)c1
InChIInChI=1S/C16H19NS/c1-12-6-13(2)8-15(7-12)11-18-16-5-3-4-14(9-16)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyRPJKGZSBWSALAN-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.05
Rot. Bonds4

About [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine

[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine (PubChem CID 66354106) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
PubChem CID66354106
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
SMILESCc1cc(C)cc(CSc2cccc(CN)c2)c1
InChIInChI=1S/C16H19NS/c1-12-6-13(2)8-15(7-12)11-18-16-5-3-4-14(9-16)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyRPJKGZSBWSALAN-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66348810
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347709
[3-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]phenyl]methanamine
CID 66353686
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
(3-propylsulfanylphenyl)methanamine
CID 66356001
[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine
CID 66354939
[2-bromo-6-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 114884689
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
4-[(3,5-dimethylphenyl)methylsulfanyl]-2-methylaniline
CID 79148201
[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]methanamine
CID 113321432
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine?
The IUPAC name of [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine (CID 66354106) is [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine?
The canonical SMILES for [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine is Cc1cc(C)cc(CSc2cccc(CN)c2)c1.
What is the InChIKey of [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine?
The InChIKey is RPJKGZSBWSALAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-6-13(2)8-15(7-12)11-18-16-5-3-4-14(9-16)10-17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine?
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine has a molecular weight of 257.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 66354106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).