4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine

C14H17NOS — CID 82479976

IUPAC4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine
SMILESCC(C)COc1ccc(-c2csc(N)c2)cc1
InChIInChI=1S/C14H17NOS/c1-10(2)8-16-13-5-3-11(4-6-13)12-7-14(15)17-9-12/h3-7,9-10H,8,15H2,1-2H3
InChIKeyITSKYBBIQQIVDT-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.03
Rot. Bonds4

About 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine

4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine (PubChem CID 82479976) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine.

Molecular Properties

Compound Name4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine
PubChem CID82479976
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine
SMILESCC(C)COc1ccc(-c2csc(N)c2)cc1
InChIInChI=1S/C14H17NOS/c1-10(2)8-16-13-5-3-11(4-6-13)12-7-14(15)17-9-12/h3-7,9-10H,8,15H2,1-2H3
InChIKeyITSKYBBIQQIVDT-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
CID 82293784
2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 95444849
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 164606887
(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
CID 61393233
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357
2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile
CID 82299236
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
CID 82479094
2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol
CID 11695856

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine?
The IUPAC name of 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine (CID 82479976) is 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine.
What is the SMILES notation for 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine?
The canonical SMILES for 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine is CC(C)COc1ccc(-c2csc(N)c2)cc1.
What is the InChIKey of 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine?
The InChIKey is ITSKYBBIQQIVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10(2)8-16-13-5-3-11(4-6-13)12-7-14(15)17-9-12/h3-7,9-10H,8,15H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine?
4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine has a molecular weight of 247.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine is sourced from PubChem (CID 82479976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).