N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C19H27NS — CID 80526466

IUPACN-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCCc1ccc(C(CC)NCC(C)(C)c2cccs2)cc1
InChIInChI=1S/C19H27NS/c1-5-15-9-11-16(12-10-15)17(6-2)20-14-19(3,4)18-8-7-13-21-18/h7-13,17,20H,5-6,14H2,1-4H3
InChIKeyGQTMKTWTSCGGQS-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.33
Rot. Bonds7

About N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 80526466) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID80526466
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCCc1ccc(C(CC)NCC(C)(C)c2cccs2)cc1
InChIInChI=1S/C19H27NS/c1-5-15-9-11-16(12-10-15)17(6-2)20-14-19(3,4)18-8-7-13-21-18/h7-13,17,20H,5-6,14H2,1-4H3
InChIKeyGQTMKTWTSCGGQS-UHFFFAOYSA-N
XLogP5.33
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 ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
CID 80526209
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115938783
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80525978
4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
CID 103787569
3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917285
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 82991870
methyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoate
CID 115353516
2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol
CID 106250977
4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 79040855
2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 54886658

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 80526466) is N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is CCc1ccc(C(CC)NCC(C)(C)c2cccs2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is GQTMKTWTSCGGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-5-15-9-11-16(12-10-15)17(6-2)20-14-19(3,4)18-8-7-13-21-18/h7-13,17,20H,5-6,14H2,1-4H3.
What are the key properties of N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80526466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).