N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine

C16H21NS — CID 61223934

IUPACN-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccsc2)cc1C
InChIInChI=1S/C16H21NS/c1-12-4-5-15(8-13(12)2)10-17-14(3)9-16-6-7-18-11-16/h4-8,11,14,17H,9-10H2,1-3H3
InChIKeyDWMHRBPPCOMXIE-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.09
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 61223934) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID61223934
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccsc2)cc1C
InChIInChI=1S/C16H21NS/c1-12-4-5-15(8-13(12)2)10-17-14(3)9-16-6-7-18-11-16/h4-8,11,14,17H,9-10H2,1-3H3
InChIKeyDWMHRBPPCOMXIE-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
N-(1,3-benzodioxol-5-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61473215
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
2-ethoxy-4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]phenol
CID 61223190
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224119
methyl 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzoate
CID 61473251
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221739
4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882119
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
CID 66349713
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224120

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 61223934) is N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine is Cc1ccc(CNC(C)Cc2ccsc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is DWMHRBPPCOMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12-4-5-15(8-13(12)2)10-17-14(3)9-16-6-7-18-11-16/h4-8,11,14,17H,9-10H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 259.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61223934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).