N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine

C17H23NS — CID 55067848

IUPACN-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-14-6-3-7-15(12-14)13-16(18-2)8-4-9-17-10-5-11-19-17/h3,5-7,10-12,16,18H,4,8-9,13H2,1-2H3
InChIKeyFCFHQFNDEIKTPK-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.21
Rot. Bonds7

About N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine

N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 55067848) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
PubChem CID55067848
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-14-6-3-7-15(12-14)13-16(18-2)8-4-9-17-10-5-11-19-17/h3,5-7,10-12,16,18H,4,8-9,13H2,1-2H3
InChIKeyFCFHQFNDEIKTPK-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine (CID 55067848) is N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine is CNC(CCCc1cccs1)Cc1cccc(C)c1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is FCFHQFNDEIKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-14-6-3-7-15(12-14)13-16(18-2)8-4-9-17-10-5-11-19-17/h3,5-7,10-12,16,18H,4,8-9,13H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine?
N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine has a molecular weight of 273.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 55067848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).