N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline

C17H24N2S — CID 61437944

IUPACN-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
SMILESCCCNCc1ccccc1N(CC)Cc1cccs1
InChIInChI=1S/C17H24N2S/c1-3-11-18-13-15-8-5-6-10-17(15)19(4-2)14-16-9-7-12-20-16/h5-10,12,18H,3-4,11,13-14H2,1-2H3
InChIKeyIEDDFPHBFOBXPK-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.27
Rot. Bonds8

About N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline

N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline (PubChem CID 61437944) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
PubChem CID61437944
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
SMILESCCCNCc1ccccc1N(CC)Cc1cccs1
InChIInChI=1S/C17H24N2S/c1-3-11-18-13-15-8-5-6-10-17(15)19(4-2)14-16-9-7-12-20-16/h5-10,12,18H,3-4,11,13-14H2,1-2H3
InChIKeyIEDDFPHBFOBXPK-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 61437397
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073477
N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine
CID 62484744
N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62767058
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62421351
N-ethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073508
N,3-dimethyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488923
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline (CID 61437944) is N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline is CCCNCc1ccccc1N(CC)Cc1cccs1.
What is the InChIKey of N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is IEDDFPHBFOBXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-11-18-13-15-8-5-6-10-17(15)19(4-2)14-16-9-7-12-20-16/h5-10,12,18H,3-4,11,13-14H2,1-2H3.
What are the key properties of N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline?
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 288.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 61437944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).