N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine

C16H21NS — CID 79802990

IUPACN-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1cscc1C
InChIInChI=1S/C16H21NS/c1-11(2)13-5-7-14(8-6-13)16(17-4)15-10-18-9-12(15)3/h5-11,16-17H,1-4H3
InChIKeyZLARSRFVYZNUKZ-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.49
Rot. Bonds4

About N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine

N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 79802990) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine
PubChem CID79802990
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1cscc1C
InChIInChI=1S/C16H21NS/c1-11(2)13-5-7-14(8-6-13)16(17-4)15-10-18-9-12(15)3/h5-11,16-17H,1-4H3
InChIKeyZLARSRFVYZNUKZ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802800
1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802169
N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 79802613
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 107513662
[(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 107562423
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
[(2-chlorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251671
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106684333
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 102827434
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79693386

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine (CID 79802990) is N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)c1cscc1C.
What is the InChIKey of N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is ZLARSRFVYZNUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-11(2)13-5-7-14(8-6-13)16(17-4)15-10-18-9-12(15)3/h5-11,16-17H,1-4H3.
What are the key properties of N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine?
N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 259.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 79802990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).