2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline

C15H20N2S — CID 66418816

IUPAC2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline
SMILESCc1cc(C(C)NCc2ccccc2N)c(C)s1
InChIInChI=1S/C15H20N2S/c1-10-8-14(12(3)18-10)11(2)17-9-13-6-4-5-7-15(13)16/h4-8,11,17H,9,16H2,1-3H3
InChIKeyFQPKXJQKRGMSHO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.80
Rot. Bonds4

About 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline

2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline (PubChem CID 66418816) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline
PubChem CID66418816
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline
SMILESCc1cc(C(C)NCc2ccccc2N)c(C)s1
InChIInChI=1S/C15H20N2S/c1-10-8-14(12(3)18-10)11(2)17-9-13-6-4-5-7-15(13)16/h4-8,11,17H,9,16H2,1-3H3
InChIKeyFQPKXJQKRGMSHO-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43098513
N-[(2,6-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43432404
N-[(2-chloro-4-methylphenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 106862491
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-4-methylphenol
CID 63324725
1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61374587
N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43737410
1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylbenzotriazol-4-yl)methyl]ethanamine
CID 166311221
2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
CID 66416923
1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43737489
1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63000435
1-(2,5-dimethylthiophen-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 86931333
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333720

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline?
The IUPAC name of 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline (CID 66418816) is 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline.
What is the SMILES notation for 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline?
The canonical SMILES for 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline is Cc1cc(C(C)NCc2ccccc2N)c(C)s1.
What is the InChIKey of 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline?
The InChIKey is FQPKXJQKRGMSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-8-14(12(3)18-10)11(2)17-9-13-6-4-5-7-15(13)16/h4-8,11,17H,9,16H2,1-3H3.
What are the key properties of 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline?
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline has a molecular weight of 260.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline is sourced from PubChem (CID 66418816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).