2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine

C13H14ClNOS — CID 65127349

IUPAC2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine
SMILESNCC(OCc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C13H14ClNOS/c14-11-4-1-3-10(7-11)9-16-12(8-15)13-5-2-6-17-13/h1-7,12H,8-9,15H2
InChIKeyMHVRXEBGCUHLTN-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.62
Rot. Bonds5

About 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine

2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine (PubChem CID 65127349) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine
PubChem CID65127349
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine
SMILESNCC(OCc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C13H14ClNOS/c14-11-4-1-3-10(7-11)9-16-12(8-15)13-5-2-6-17-13/h1-7,12H,8-9,15H2
InChIKeyMHVRXEBGCUHLTN-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)ethanamine
CID 65124766
2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 3061996
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine
CID 130253559
2-[(2-fluorophenyl)methoxy]-2-thiophen-2-ylethanamine
CID 63932814
2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
CID 55021133
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine
CID 107656089
1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene
CID 65124818
1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55022248
2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine
CID 66234022
1-[(3-bromophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 82827669

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine (CID 65127349) is 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine is NCC(OCc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine?
The InChIKey is MHVRXEBGCUHLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c14-11-4-1-3-10(7-11)9-16-12(8-15)13-5-2-6-17-13/h1-7,12H,8-9,15H2.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine?
2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine has a molecular weight of 267.78 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 65127349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).