N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine

C15H19NS — CID 79436154

IUPACN-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCNCC(Cc1cccs1)c1ccc(C)cc1
InChIInChI=1S/C15H19NS/c1-12-5-7-13(8-6-12)14(11-16-2)10-15-4-3-9-17-15/h3-9,14,16H,10-11H2,1-2H3
InChIKeyVCTUBABVUSYBSG-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.60
Rot. Bonds5

About N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine

N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 79436154) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID79436154
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCNCC(Cc1cccs1)c1ccc(C)cc1
InChIInChI=1S/C15H19NS/c1-12-5-7-13(8-6-12)14(11-16-2)10-15-4-3-9-17-15/h3-9,14,16H,10-11H2,1-2H3
InChIKeyVCTUBABVUSYBSG-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
CID 79437348
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79416940
N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile
CID 82081204
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
1-[(2R)-1-(methylamino)-3-thiophen-2-ylpropan-2-yl]naphthalen-2-ol
CID 169443450
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 103984749

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine (CID 79436154) is N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine is CNCC(Cc1cccs1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is VCTUBABVUSYBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-5-7-13(8-6-12)14(11-16-2)10-15-4-3-9-17-15/h3-9,14,16H,10-11H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine?
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79436154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).