2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine

C20H20ClNO2S — CID 21157645

IUPAC2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine
SMILESCOc1cc(CC(N)c2cccs2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C20H20ClNO2S/c1-23-18-12-15(11-17(22)19-8-5-9-25-19)10-16(21)20(18)24-13-14-6-3-2-4-7-14/h2-10,12,17H,11,13,22H2,1H3
InChIKeyDGHYNDNZMUQMFP-UHFFFAOYSA-N
MW373.91 g/mol
LogP5.23
Rot. Bonds7

About 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine

2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine (PubChem CID 21157645) has the molecular formula C20H20ClNO2S and a molecular weight of 373.91 g/mol. Its IUPAC name is 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine
PubChem CID21157645
Molecular FormulaC20H20ClNO2S
Molecular Weight373.91 g/mol
Exact Mass373.09
IUPAC Name2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine
SMILESCOc1cc(CC(N)c2cccs2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C20H20ClNO2S/c1-23-18-12-15(11-17(22)19-8-5-9-25-19)10-16(21)20(18)24-13-14-6-3-2-4-7-14/h2-10,12,17H,11,13,22H2,1H3
InChIKeyDGHYNDNZMUQMFP-UHFFFAOYSA-N
XLogP5.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.91
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine
CID 21156725
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine
CID 21157641
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715962
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 4716264
1-(3-chloro-4,5-dimethoxyphenyl)-2-phenylethanamine
CID 60955928
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975945
N'-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215535
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2958913
1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 17290121
(1S)-2-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylethanol
CID 8637889
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]heptan-1-amine
CID 4716931

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine (CID 21157645) is 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine is COc1cc(CC(N)c2cccs2)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine?
The InChIKey is DGHYNDNZMUQMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2S/c1-23-18-12-15(11-17(22)19-8-5-9-25-19)10-16(21)20(18)24-13-14-6-3-2-4-7-14/h2-10,12,17H,11,13,22H2,1H3.
What are the key properties of 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine?
2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine has a molecular weight of 373.91 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 21157645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).