2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine

C18H29NOS — CID 65318326

IUPAC2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc(OC)cc1C
InChIInChI=1S/C18H29NOS/c1-4-19-18(13-21-16-8-6-5-7-9-16)17-11-10-15(20-3)12-14(17)2/h10-12,16,18-19H,4-9,13H2,1-3H3
InChIKeyMFAPBHKAVWWJRB-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.72
Rot. Bonds7

About 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine

2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine (PubChem CID 65318326) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
PubChem CID65318326
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc(OC)cc1C
InChIInChI=1S/C18H29NOS/c1-4-19-18(13-21-16-8-6-5-7-9-16)17-11-10-15(20-3)12-14(17)2/h10-12,16,18-19H,4-9,13H2,1-3H3
InChIKeyMFAPBHKAVWWJRB-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65318131
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 65144292
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627355
2-cyclohexylsulfanyl-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65144633
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801
2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988667

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine (CID 65318326) is 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine is CCNC(CSC1CCCCC1)c1ccc(OC)cc1C.
What is the InChIKey of 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine?
The InChIKey is MFAPBHKAVWWJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-4-19-18(13-21-16-8-6-5-7-9-16)17-11-10-15(20-3)12-14(17)2/h10-12,16,18-19H,4-9,13H2,1-3H3.
What are the key properties of 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine?
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine has a molecular weight of 307.50 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine is sourced from PubChem (CID 65318326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).