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

C19H27NS — CID 115857109

IUPACN-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCCCNC(CCc1ccsc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H27NS/c1-5-9-20-18(7-6-17-8-10-21-13-17)19-15(3)11-14(2)12-16(19)4/h8,10-13,18,20H,5-7,9H2,1-4H3
InChIKeyGKRDUQFYQANGOW-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.35
Rot. Bonds7

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

N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 115857109) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID115857109
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCCCNC(CCc1ccsc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H27NS/c1-5-9-20-18(7-6-17-8-10-21-13-17)19-15(3)11-14(2)12-16(19)4/h8,10-13,18,20H,5-7,9H2,1-4H3
InChIKeyGKRDUQFYQANGOW-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-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-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147845
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104790467
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857169
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103215285
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine (CID 115857109) is N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine is CCCNC(CCc1ccsc1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is GKRDUQFYQANGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-5-9-20-18(7-6-17-8-10-21-13-17)19-15(3)11-14(2)12-16(19)4/h8,10-13,18,20H,5-7,9H2,1-4H3.
What are the key properties of N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine?
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 115857109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).