3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

C17H23NOS — CID 63449719

IUPAC3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cccc(OCC(C)C)c2)s1
InChIInChI=1S/C17H23NOS/c1-12(2)11-19-16-7-5-6-15(10-16)18-14(4)17-9-8-13(3)20-17/h5-10,12,14,18H,11H2,1-4H3
InChIKeyGYTZTWQHBOTEFF-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.26
Rot. Bonds6

About 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 63449719) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID63449719
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cccc(OCC(C)C)c2)s1
InChIInChI=1S/C17H23NOS/c1-12(2)11-19-16-7-5-6-15(10-16)18-14(4)17-9-8-13(3)20-17/h5-10,12,14,18H,11H2,1-4H3
InChIKeyGYTZTWQHBOTEFF-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
CID 43693725
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449937
3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline
CID 62091231
N-[1-(3-fluorophenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449892
N-(3-methylpentan-2-yl)-3-(2-methylpropoxy)aniline
CID 63449668
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43095809
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
2-[3-(2-methylpropoxy)anilino]propanoic acid
CID 66174540
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 55012623

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (CID 63449719) is 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is Cc1ccc(C(C)Nc2cccc(OCC(C)C)c2)s1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is GYTZTWQHBOTEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-12(2)11-19-16-7-5-6-15(10-16)18-14(4)17-9-8-13(3)20-17/h5-10,12,14,18H,11H2,1-4H3.
What are the key properties of 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 289.44 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 63449719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).