3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline

C15H18ClNOS — CID 43727172

IUPAC3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(C)Oc1ccc(NC(C)c2cccs2)cc1Cl
InChIInChI=1S/C15H18ClNOS/c1-10(2)18-14-7-6-12(9-13(14)16)17-11(3)15-5-4-8-19-15/h4-11,17H,1-3H3
InChIKeyNJIDCNFPALWXOS-UHFFFAOYSA-N
MW295.84 g/mol
LogP5.36
Rot. Bonds5

About 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline

3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43727172) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43727172
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(C)Oc1ccc(NC(C)c2cccs2)cc1Cl
InChIInChI=1S/C15H18ClNOS/c1-10(2)18-14-7-6-12(9-13(14)16)17-11(3)15-5-4-8-19-15/h4-11,17H,1-3H3
InChIKeyNJIDCNFPALWXOS-UHFFFAOYSA-N
XLogP5.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.84
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43191617
3-chloro-N-[1-(2-fluorophenyl)ethyl]-4-propan-2-yloxyaniline
CID 43727176
methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate
CID 90773557
3-chloro-N-(1-cyclopropylethyl)-4-propan-2-yloxyaniline
CID 43727180
3-chloro-N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43727182
4-[1-(3-chloro-4-propan-2-yloxyanilino)ethyl]benzonitrile
CID 78883006
3-chloro-4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988284
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
3-(3-chloro-4-propan-2-yloxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83953051
4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 107621215
4-chloro-N-(dithiophen-2-ylmethyl)-3-methoxyaniline
CID 107621004

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline (CID 43727172) is 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline is CC(C)Oc1ccc(NC(C)c2cccs2)cc1Cl.
What is the InChIKey of 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is NJIDCNFPALWXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-10(2)18-14-7-6-12(9-13(14)16)17-11(3)15-5-4-8-19-15/h4-11,17H,1-3H3.
What are the key properties of 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline?
3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 295.84 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43727172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).