1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine

C14H16ClNOS — CID 55021040

IUPAC1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
SMILESCc1cc(Cl)ccc1OC(c1cccs1)C(C)N
InChIInChI=1S/C14H16ClNOS/c1-9-8-11(15)5-6-12(9)17-14(10(2)16)13-4-3-7-18-13/h3-8,10,14H,16H2,1-2H3
InChIKeyXYJQESZWTLKMQS-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine

1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine (PubChem CID 55021040) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
PubChem CID55021040
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
SMILESCc1cc(Cl)ccc1OC(c1cccs1)C(C)N
InChIInChI=1S/C14H16ClNOS/c1-9-8-11(15)5-6-12(9)17-14(10(2)16)13-4-3-7-18-13/h3-8,10,14H,16H2,1-2H3
InChIKeyXYJQESZWTLKMQS-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 62670759
1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
CID 63038311
1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020853
2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55092951
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959137
2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 5122020
1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55020981
1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 115401622
5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid
CID 82037902

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine (CID 55021040) is 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine is Cc1cc(Cl)ccc1OC(c1cccs1)C(C)N.
What is the InChIKey of 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is XYJQESZWTLKMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-9-8-11(15)5-6-12(9)17-14(10(2)16)13-4-3-7-18-13/h3-8,10,14H,16H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine?
1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 281.81 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 55021040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).