1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

C17H23NS — CID 102841861

IUPAC1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccsc1C
InChIInChI=1S/C17H23NS/c1-12-15(10-11-19-12)16(18-5)13-6-8-14(9-7-13)17(2,3)4/h6-11,16,18H,1-5H3
InChIKeyCGDMXBKJVIHTDY-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.66
Rot. Bonds3

About 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102841861) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102841861
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccsc1C
InChIInChI=1S/C17H23NS/c1-12-15(10-11-19-12)16(18-5)13-6-8-14(9-7-13)17(2,3)4/h6-11,16,18H,1-5H3
InChIKeyCGDMXBKJVIHTDY-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-tert-butylphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843361
1-(4-tert-butylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484390
1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840490
1-(3-chloro-4-iodophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 103216562
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102831967
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43484460
1-(4-tert-butylphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105140419
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
CID 106857422
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841710
[(4-tert-butylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105300421

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102841861) is 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccc(C(C)(C)C)cc1)c1ccsc1C.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is CGDMXBKJVIHTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-12-15(10-11-19-12)16(18-5)13-6-8-14(9-7-13)17(2,3)4/h6-11,16,18H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine has a molecular weight of 273.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102841861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).