N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline

C18H26N2S — CID 115994976

IUPACN-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCCNC(CC)c1ccccc1N(CC)Cc1cccs1
InChIInChI=1S/C18H26N2S/c1-4-17(19-5-2)16-11-7-8-12-18(16)20(6-3)14-15-10-9-13-21-15/h7-13,17,19H,4-6,14H2,1-3H3
InChIKeyMRVBUZUTSBFWLV-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.84
Rot. Bonds8

About N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline

N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline (PubChem CID 115994976) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
PubChem CID115994976
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCCNC(CC)c1ccccc1N(CC)Cc1cccs1
InChIInChI=1S/C18H26N2S/c1-4-17(19-5-2)16-11-7-8-12-18(16)20(6-3)14-15-10-9-13-21-15/h7-13,17,19H,4-6,14H2,1-3H3
InChIKeyMRVBUZUTSBFWLV-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994862
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
3-[N-ethyl-2-[1-(ethylamino)propyl]anilino]-2-methylpropanenitrile
CID 115995032
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline
CID 115995117
2-[1-(ethylamino)propyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 115994861
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61437034
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline (CID 115994976) is N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline is CCNC(CC)c1ccccc1N(CC)Cc1cccs1.
What is the InChIKey of N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is MRVBUZUTSBFWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-17(19-5-2)16-11-7-8-12-18(16)20(6-3)14-15-10-9-13-21-15/h7-13,17,19H,4-6,14H2,1-3H3.
What are the key properties of N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline?
N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 302.49 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 115994976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).