N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine

C16H21NS — CID 55082726

IUPACN-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
SMILESCNCC(Cc1cccc(C)c1)Cc1cccs1
InChIInChI=1S/C16H21NS/c1-13-5-3-6-14(9-13)10-15(12-17-2)11-16-7-4-8-18-16/h3-9,15,17H,10-12H2,1-2H3
InChIKeyIHCCKJPESZFLLY-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.68
Rot. Bonds6

About N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine

N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine (PubChem CID 55082726) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
PubChem CID55082726
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
SMILESCNCC(Cc1cccc(C)c1)Cc1cccs1
InChIInChI=1S/C16H21NS/c1-13-5-3-6-14(9-13)10-15(12-17-2)11-16-7-4-8-18-16/h3-9,15,17H,10-12H2,1-2H3
InChIKeyIHCCKJPESZFLLY-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 62514535
4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62514359
2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775568
2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 104810501
2-[(2-methoxyphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 62515411
2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79416940
N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine
CID 63195920
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 62515381
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine (CID 55082726) is N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine is CNCC(Cc1cccc(C)c1)Cc1cccs1.
What is the InChIKey of N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine?
The InChIKey is IHCCKJPESZFLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-13-5-3-6-14(9-13)10-15(12-17-2)11-16-7-4-8-18-16/h3-9,15,17H,10-12H2,1-2H3.
What are the key properties of N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine?
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 55082726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).