[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine

C15H17NS — CID 43528941

IUPAC[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2ccc(CN)cc2)cc1C
InChIInChI=1S/C15H17NS/c1-11-3-6-15(9-12(11)2)17-14-7-4-13(10-16)5-8-14/h3-9H,10,16H2,1-2H3
InChIKeyVBAWFEJXDTXQHR-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.91
Rot. Bonds3

About [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine

[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine (PubChem CID 43528941) has the molecular formula C15H17NS and a molecular weight of 243.37 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
PubChem CID43528941
Molecular FormulaC15H17NS
Molecular Weight243.37 g/mol
Exact Mass243.11
IUPAC Name[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2ccc(CN)cc2)cc1C
InChIInChI=1S/C15H17NS/c1-11-3-6-15(9-12(11)2)17-14-7-4-13(10-16)5-8-14/h3-9H,10,16H2,1-2H3
InChIKeyVBAWFEJXDTXQHR-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552271
[3-chloro-4-[(3,4-dimethylphenyl)sulfanylmethyl]phenyl]methanamine
CID 102669115
[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
CID 117033206
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
CID 63237915
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528942
[3-(3,4-dimethylphenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514778
1-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-ethylthiourea
CID 8660488
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine (CID 43528941) is [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine is Cc1ccc(Sc2ccc(CN)cc2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine?
The InChIKey is VBAWFEJXDTXQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-11-3-6-15(9-12(11)2)17-14-7-4-13(10-16)5-8-14/h3-9H,10,16H2,1-2H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine?
[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine has a molecular weight of 243.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 43528941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).