3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

C14H17NS — CID 29299237

IUPAC3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)c1cccc(NCc2cccs2)c1
InChIInChI=1S/C14H17NS/c1-11(2)12-5-3-6-13(9-12)15-10-14-7-4-8-16-14/h3-9,11,15H,10H2,1-2H3
InChIKeyBIHJYYNYSJTVCM-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.48
Rot. Bonds4

About 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 29299237) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
PubChem CID29299237
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)c1cccc(NCc2cccs2)c1
InChIInChI=1S/C14H17NS/c1-11(2)12-5-3-6-13(9-12)15-10-14-7-4-8-16-14/h3-9,11,15H,10H2,1-2H3
InChIKeyBIHJYYNYSJTVCM-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
2-(3-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60899443
1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
CID 83962994
N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
3-(thiophen-2-ylmethylamino)benzoate
CID 6954625
3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54803133
2-(3-propan-2-ylanilino)ethanol
CID 28973580
N-(methylsulfanylmethyl)-3-propan-2-ylaniline
CID 139386106
N-[2-chloro-4-(thiophen-2-ylmethylamino)phenyl]methanesulfonamide
CID 43744756
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (CID 29299237) is 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is CC(C)c1cccc(NCc2cccs2)c1.
What is the InChIKey of 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is BIHJYYNYSJTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-11(2)12-5-3-6-13(9-12)15-10-14-7-4-8-16-14/h3-9,11,15H,10H2,1-2H3.
What are the key properties of 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 231.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 29299237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).