[4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine

C17H23NS — CID 96669316

IUPAC[4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1-c1c(CN)csc1C
InChIInChI=1S/C17H23NS/c1-11-8-14(17(3,4)5)6-7-15(11)16-12(2)19-10-13(16)9-18/h6-8,10H,9,18H2,1-5H3
InChIKeyYGUJFTDPSLYMJR-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.79
Rot. Bonds2

About [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine

[4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine (PubChem CID 96669316) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine
PubChem CID96669316
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name[4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1-c1c(CN)csc1C
InChIInChI=1S/C17H23NS/c1-11-8-14(17(3,4)5)6-7-15(11)16-12(2)19-10-13(16)9-18/h6-8,10H,9,18H2,1-5H3
InChIKeyYGUJFTDPSLYMJR-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98021222
(2,4-ditert-butylphenyl)methanamine
CID 174492091
[2-(4-tert-butyl-2-methylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892119
2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole
CID 116892310
[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487476
[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82483679
5-(4-tert-butyl-2-methylphenyl)thiophen-2-amine
CID 82479198
2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 67328464
[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82294383
2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene
CID 57267216
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
2-(4-tert-butyl-2-methylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889953

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine?
The IUPAC name of [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine (CID 96669316) is [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine.
What is the SMILES notation for [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine?
The canonical SMILES for [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine is Cc1cc(C(C)(C)C)ccc1-c1c(CN)csc1C.
What is the InChIKey of [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine?
The InChIKey is YGUJFTDPSLYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-11-8-14(17(3,4)5)6-7-15(11)16-12(2)19-10-13(16)9-18/h6-8,10H,9,18H2,1-5H3.
What are the key properties of [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine?
[4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine has a molecular weight of 273.44 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine is sourced from PubChem (CID 96669316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).