2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline

C15H20N2S — CID 66416923

IUPAC2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
SMILESCc1ccc(CC(C)NCc2ccccc2N)s1
InChIInChI=1S/C15H20N2S/c1-11(9-14-8-7-12(2)18-14)17-10-13-5-3-4-6-15(13)16/h3-8,11,17H,9-10,16H2,1-2H3
InChIKeyIKTZKAYGWPZTAX-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.36
Rot. Bonds5

About 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline

2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline (PubChem CID 66416923) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
PubChem CID66416923
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
SMILESCc1ccc(CC(C)NCc2ccccc2N)s1
InChIInChI=1S/C15H20N2S/c1-11(9-14-8-7-12(2)18-14)17-10-13-5-3-4-6-15(13)16/h3-8,11,17H,9-10,16H2,1-2H3
InChIKeyIKTZKAYGWPZTAX-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.36
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-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134
2-[(2-aminophenyl)methylamino]propan-1-ol
CID 66386252
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
CID 103390068
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline
CID 66418816
N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 112650189
N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 66444031
2-N-[(2-aminophenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106703561
1-(5-methylthiophen-2-yl)-N-(2-phenylsulfanylethyl)propan-2-amine
CID 79223017
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline?
The IUPAC name of 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline (CID 66416923) is 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline.
What is the SMILES notation for 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline?
The canonical SMILES for 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline is Cc1ccc(CC(C)NCc2ccccc2N)s1.
What is the InChIKey of 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline?
The InChIKey is IKTZKAYGWPZTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(9-14-8-7-12(2)18-14)17-10-13-5-3-4-6-15(13)16/h3-8,11,17H,9-10,16H2,1-2H3.
What are the key properties of 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline?
2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline has a molecular weight of 260.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline is sourced from PubChem (CID 66416923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).