N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine

C19H27NS — CID 105120984

IUPACN-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H27NS/c1-5-7-20-18(11-17-6-8-21-13-17)12-19-15(3)9-14(2)10-16(19)4/h6,8-10,13,18,20H,5,7,11-12H2,1-4H3
InChIKeyWBPIEAJDLTXTLP-UHFFFAOYSA-N
MW301.50 g/mol
LogP4.83
Rot. Bonds7

About N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine

N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 105120984) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID105120984
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H27NS/c1-5-7-20-18(11-17-6-8-21-13-17)12-19-15(3)9-14(2)10-16(19)4/h6,8-10,13,18,20H,5,7,11-12H2,1-4H3
InChIKeyWBPIEAJDLTXTLP-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-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-propyl-1-thiophen-3-ylpent-4-yn-2-amine
CID 105077426
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115857109
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 79088757
1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 115845113
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115601465
1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine
CID 63413266
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
1-(2-ethyl-1,2,4-triazol-3-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105161824
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 105120984) is N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine is CCCNC(Cc1ccsc1)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is WBPIEAJDLTXTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-5-7-20-18(11-17-6-8-21-13-17)12-19-15(3)9-14(2)10-16(19)4/h6,8-10,13,18,20H,5,7,11-12H2,1-4H3.
What are the key properties of N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine?
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 301.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 105120984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).