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

C16H22N2S — CID 107555656

IUPACN-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline
SMILESCCNCc1ccc(CN(CC)c2ccccc2)s1
InChIInChI=1S/C16H22N2S/c1-3-17-12-15-10-11-16(19-15)13-18(4-2)14-8-6-5-7-9-14/h5-11,17H,3-4,12-13H2,1-2H3
InChIKeyNIOVSRFVNZHPGG-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.88
Rot. Bonds7

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

N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline (PubChem CID 107555656) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline
PubChem CID107555656
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline
SMILESCCNCc1ccc(CN(CC)c2ccccc2)s1
InChIInChI=1S/C16H22N2S/c1-3-17-12-15-10-11-16(19-15)13-18(4-2)14-8-6-5-7-9-14/h5-11,17H,3-4,12-13H2,1-2H3
InChIKeyNIOVSRFVNZHPGG-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thenalidine
CID 27901
Methaphenilene
CID 10306
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CID 155530279
N-[[5-(anilinomethyl)thiophen-2-yl]methyl]aniline
CID 155557705
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 6492101
N-{4-[(2-thienylmethyl)amino]phenyl}propanamide
CID 6492102
N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 1263335
N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide
CID 6492105
1-Phenyl-3-(thiophen-2-ylmethyl)thiourea
CID 841821
(5-Methyl-thiophen-2-ylmethyl)-(4-morpholin-4-yl-phenyl)-amine
CID 648863

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline?
The IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline (CID 107555656) is N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline?
The canonical SMILES for N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline is CCNCc1ccc(CN(CC)c2ccccc2)s1.
What is the InChIKey of N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline?
The InChIKey is NIOVSRFVNZHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-17-12-15-10-11-16(19-15)13-18(4-2)14-8-6-5-7-9-14/h5-11,17H,3-4,12-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline?
N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline has a molecular weight of 274.43 g/mol, XLogP of 3.88, 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]aniline is sourced from PubChem (CID 107555656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).