N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline

C17H24N2S — CID 107556069

IUPACN-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline
SMILESCCNCc1ccc(CN(CC)c2cccc(C)c2)s1
InChIInChI=1S/C17H24N2S/c1-4-18-12-16-9-10-17(20-16)13-19(5-2)15-8-6-7-14(3)11-15/h6-11,18H,4-5,12-13H2,1-3H3
InChIKeyKJNMBQQLPNMKNJ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.19
Rot. Bonds7

About N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline

N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline (PubChem CID 107556069) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline
PubChem CID107556069
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline
SMILESCCNCc1ccc(CN(CC)c2cccc(C)c2)s1
InChIInChI=1S/C17H24N2S/c1-4-18-12-16-9-10-17(20-16)13-19(5-2)15-8-6-7-14(3)11-15/h6-11,18H,4-5,12-13H2,1-3H3
InChIKeyKJNMBQQLPNMKNJ-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107555656
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline
CID 107556468
N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287254
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557224
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
4-[(N-ethyl-3-methylanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 80731381
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline?
The IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline (CID 107556069) is N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline.
What is the SMILES notation for N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline?
The canonical SMILES for N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline is CCNCc1ccc(CN(CC)c2cccc(C)c2)s1.
What is the InChIKey of N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline?
The InChIKey is KJNMBQQLPNMKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-18-12-16-9-10-17(20-16)13-19(5-2)15-8-6-7-14(3)11-15/h6-11,18H,4-5,12-13H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline?
N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline has a molecular weight of 288.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline is sourced from PubChem (CID 107556069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).