1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine

C14H22ClNOS — CID 107360324

IUPAC1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
SMILESCCOC(C1CCCCC1)C(N)c1sccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-2-17-13(10-6-4-3-5-7-10)12(16)14-11(15)8-9-18-14/h8-10,12-13H,2-7,16H2,1H3
InChIKeyUGWKHVRFPGHFAT-UHFFFAOYSA-N
MW287.86 g/mol
LogP4.39
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine

1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine (PubChem CID 107360324) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
PubChem CID107360324
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
SMILESCCOC(C1CCCCC1)C(N)c1sccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-2-17-13(10-6-4-3-5-7-10)12(16)14-11(15)8-9-18-14/h8-10,12-13H,2-7,16H2,1H3
InChIKeyUGWKHVRFPGHFAT-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol
CID 107359630
2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 116772255
3-chloro-2-[chloro(cyclooctyl)methyl]thiophene
CID 80530285
1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116723193
2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
CID 116771976
3-(1-amino-2-cyclohexyl-2-ethoxyethyl)pyridin-2-amine
CID 116772126
[2-cyclohexyl-2-ethoxy-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 102843107
2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 116772054
2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107129246
3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772044
(2-cyclohexyl-2-ethoxy-1-thiophen-3-ylethyl)hydrazine
CID 105278800
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116722960

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine (CID 107360324) is 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine is CCOC(C1CCCCC1)C(N)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine?
The InChIKey is UGWKHVRFPGHFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-2-17-13(10-6-4-3-5-7-10)12(16)14-11(15)8-9-18-14/h8-10,12-13H,2-7,16H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine?
1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine has a molecular weight of 287.86 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine is sourced from PubChem (CID 107360324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).