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

C17H23NS — CID 62516103

IUPACN-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
SMILESCCNCC(Cc1ccsc1)Cc1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-3-18-12-17(11-16-7-8-19-13-16)10-15-6-4-5-14(2)9-15/h4-9,13,17-18H,3,10-12H2,1-2H3
InChIKeyFXRFLVSCFMZQDA-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.07
Rot. Bonds7

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

N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine (PubChem CID 62516103) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
PubChem CID62516103
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
SMILESCCNCC(Cc1ccsc1)Cc1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-3-18-12-17(11-16-7-8-19-13-16)10-15-6-4-5-14(2)9-15/h4-9,13,17-18H,3,10-12H2,1-2H3
InChIKeyFXRFLVSCFMZQDA-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-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-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058
2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62516264
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
CID 63520839
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine
CID 82925868
2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 113361832
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62516451

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine (CID 62516103) is N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine is CCNCC(Cc1ccsc1)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine?
The InChIKey is FXRFLVSCFMZQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-18-12-17(11-16-7-8-19-13-16)10-15-6-4-5-14(2)9-15/h4-9,13,17-18H,3,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine?
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine has a molecular weight of 273.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 62516103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).