N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine

C18H23NOS — CID 115995781

IUPACN-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1Sc1ccc(OC)cc1
InChIInChI=1S/C18H23NOS/c1-4-17(19-5-2)16-8-6-7-9-18(16)21-15-12-10-14(20-3)11-13-15/h6-13,17,19H,4-5H2,1-3H3
InChIKeyMKNIZCHARXHKPS-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.91
Rot. Bonds7

About N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine

N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine (PubChem CID 115995781) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine
PubChem CID115995781
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1Sc1ccc(OC)cc1
InChIInChI=1S/C18H23NOS/c1-4-17(19-5-2)16-8-6-7-9-18(16)21-15-12-10-14(20-3)11-13-15/h6-13,17,19H,4-5H2,1-3H3
InChIKeyMKNIZCHARXHKPS-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
CID 115995754
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1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
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1-methoxy-4-(2-methylphenyl)sulfanylbenzene
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1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
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N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
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CID 65444570
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
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N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine
CID 43285624
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
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CID 62900584

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine (CID 115995781) is N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine is CCNC(CC)c1ccccc1Sc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine?
The InChIKey is MKNIZCHARXHKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-17(19-5-2)16-8-6-7-9-18(16)21-15-12-10-14(20-3)11-13-15/h6-13,17,19H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine?
N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine is sourced from PubChem (CID 115995781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).