N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine

C19H27NS — CID 81163554

IUPACN-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)c1sc(C)cc1C
InChIInChI=1S/C19H27NS/c1-6-9-20-18(19-15(4)11-16(5)21-19)12-17-10-13(2)7-8-14(17)3/h7-8,10-11,18,20H,6,9,12H2,1-5H3
InChIKeyBEEQCLYMFBTXBU-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.27
Rot. Bonds6

About N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine

N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 81163554) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID81163554
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)c1sc(C)cc1C
InChIInChI=1S/C19H27NS/c1-6-9-20-18(19-15(4)11-16(5)21-19)12-17-10-13(2)7-8-14(17)3/h7-8,10-11,18,20H,6,9,12H2,1-5H3
InChIKeyBEEQCLYMFBTXBU-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163687
N-[1-(3,5-dimethylthiophen-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81156314
N-[1-(cyclohexen-1-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 63505635
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 102828833
1-(3,5-dimethylthiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 81156435
1-(3,5-dimethylthiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 81156173
N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496874
N-[2-(2,5-dimethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360249
N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122534
1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 81157389
2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 81156303
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 79976365

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine (CID 81163554) is N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)ccc1C)c1sc(C)cc1C.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is BEEQCLYMFBTXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-6-9-20-18(19-15(4)11-16(5)21-19)12-17-10-13(2)7-8-14(17)3/h7-8,10-11,18,20H,6,9,12H2,1-5H3.
What are the key properties of N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine?
N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81163554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).