1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine

C14H16ClNOS — CID 63775282

IUPAC1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCCc1cccs1
InChIInChI=1S/C14H16ClNOS/c1-10(16)13-9-11(15)4-5-14(13)17-7-6-12-3-2-8-18-12/h2-5,8-10H,6-7,16H2,1H3
InChIKeyZGAMRWIRSYKSQK-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.04
Rot. Bonds5

About 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine

1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine (PubChem CID 63775282) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
PubChem CID63775282
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCCc1cccs1
InChIInChI=1S/C14H16ClNOS/c1-10(16)13-9-11(15)4-5-14(13)17-7-6-12-3-2-8-18-12/h2-5,8-10H,6-7,16H2,1H3
InChIKeyZGAMRWIRSYKSQK-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
CID 63775283
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 102947209
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
5-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]pentan-1-ol
CID 55189555
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
CID 107702669
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
(1S)-1-[5-chloro-2-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 79212985

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine (CID 63775282) is 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine is CC(N)c1cc(Cl)ccc1OCCc1cccs1.
What is the InChIKey of 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
The InChIKey is ZGAMRWIRSYKSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-10(16)13-9-11(15)4-5-14(13)17-7-6-12-3-2-8-18-12/h2-5,8-10H,6-7,16H2,1H3.
What are the key properties of 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine has a molecular weight of 281.81 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 63775282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).