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

C16H21NS — CID 43783062

IUPACN-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCc1cccc(C(C)NC(C)Cc2cccs2)c1
InChIInChI=1S/C16H21NS/c1-12-6-4-7-15(10-12)14(3)17-13(2)11-16-8-5-9-18-16/h4-10,13-14,17H,11H2,1-3H3
InChIKeyFXODZBSRRQGSJV-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.34
Rot. Bonds5

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

N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43783062) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43783062
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCc1cccc(C(C)NC(C)Cc2cccs2)c1
InChIInChI=1S/C16H21NS/c1-12-6-4-7-15(10-12)14(3)17-13(2)11-16-8-5-9-18-16/h4-10,13-14,17H,11H2,1-3H3
InChIKeyFXODZBSRRQGSJV-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-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

3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43783100
N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide
CID 43692638
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43783025
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-[1-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 63993041
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43692689
2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79416940
1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 114871253
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
CID 104867052
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
N-[1-(3-methylphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115663825

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine (CID 43783062) is N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine is Cc1cccc(C(C)NC(C)Cc2cccs2)c1.
What is the InChIKey of N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is FXODZBSRRQGSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12-6-4-7-15(10-12)14(3)17-13(2)11-16-8-5-9-18-16/h4-10,13-14,17H,11H2,1-3H3.
What are the key properties of N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine?
N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 259.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43783062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).