N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline

C18H26N2S — CID 61437034

IUPACN-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCCCNC(C)c1ccc(N(CC)Cc2cccs2)cc1
InChIInChI=1S/C18H26N2S/c1-4-12-19-15(3)16-8-10-17(11-9-16)20(5-2)14-18-7-6-13-21-18/h6-11,13,15,19H,4-5,12,14H2,1-3H3
InChIKeyQRKWXYKQDGXQKF-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.84
Rot. Bonds8

About N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline

N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline (PubChem CID 61437034) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
PubChem CID61437034
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCCCNC(C)c1ccc(N(CC)Cc2cccs2)cc1
InChIInChI=1S/C18H26N2S/c1-4-12-19-15(3)16-8-10-17(11-9-16)20(5-2)14-18-7-6-13-21-18/h6-11,13,15,19H,4-5,12,14H2,1-3H3
InChIKeyQRKWXYKQDGXQKF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 61451157
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
2-[N-(cyanomethyl)-4-[1-(propylamino)ethyl]anilino]acetonitrile
CID 43284110
N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286478
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
CID 61418340
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
CID 43201404
(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940163
N-methyl-5-[1-(propylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79493798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline (CID 61437034) is N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline is CCCNC(C)c1ccc(N(CC)Cc2cccs2)cc1.
What is the InChIKey of N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is QRKWXYKQDGXQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-12-19-15(3)16-8-10-17(11-9-16)20(5-2)14-18-7-6-13-21-18/h6-11,13,15,19H,4-5,12,14H2,1-3H3.
What are the key properties of N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline?
N-ethyl-4-[1-(propylamino)ethyl]-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-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 61437034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).