N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine

C18H23NOS — CID 64626083

IUPACN-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NOS/c1-4-19-18(15-8-10-16(20-3)11-9-15)13-21-17-7-5-6-14(2)12-17/h5-12,18-19H,4,13H2,1-3H3
InChIKeyMODKWOLKTAWUGV-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.45
Rot. Bonds7

About N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine

N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 64626083) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
PubChem CID64626083
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NOS/c1-4-19-18(15-8-10-16(20-3)11-9-15)13-21-17-7-5-6-14(2)12-17/h5-12,18-19H,4,13H2,1-3H3
InChIKeyMODKWOLKTAWUGV-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
CID 66086423
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine (CID 64626083) is N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine is CCNC(CSc1cccc(C)c1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is MODKWOLKTAWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-19-18(15-8-10-16(20-3)11-9-15)13-21-17-7-5-6-14(2)12-17/h5-12,18-19H,4,13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine?
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 301.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 64626083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).