3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline

C15H19NOS — CID 83961408

IUPAC3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
SMILESCC(C)Oc1cccc(NCCc2cccs2)c1
InChIInChI=1S/C15H19NOS/c1-12(2)17-14-6-3-5-13(11-14)16-9-8-15-7-4-10-18-15/h3-7,10-12,16H,8-9H2,1-2H3
InChIKeyLWYJWNXAWAXVFZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.19
Rot. Bonds6

About 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline

3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 83961408) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
PubChem CID83961408
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
SMILESCC(C)Oc1cccc(NCCc2cccs2)c1
InChIInChI=1S/C15H19NOS/c1-12(2)17-14-6-3-5-13(11-14)16-9-8-15-7-4-10-18-15/h3-7,10-12,16H,8-9H2,1-2H3
InChIKeyLWYJWNXAWAXVFZ-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
CID 83962994
N-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxyaniline
CID 54802782
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
3-bromo-5-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 82868460
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
2-phenoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63776386

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline (CID 83961408) is 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline is CC(C)Oc1cccc(NCCc2cccs2)c1.
What is the InChIKey of 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is LWYJWNXAWAXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12(2)17-14-6-3-5-13(11-14)16-9-8-15-7-4-10-18-15/h3-7,10-12,16H,8-9H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline?
3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 261.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 83961408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).