N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine

C18H23NOS — CID 81354846

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NC(C)c2ccc(SC)cc2)c1
InChIInChI=1S/C18H23NOS/c1-13(15-8-10-18(21-4)11-9-15)19-14(2)16-6-5-7-17(12-16)20-3/h5-14,19H,1-4H3/t13?,14-/m0/s1
InChIKeyJGBBXYOZBYBQPR-KZUDCZAMSA-N
MW301.46 g/mol
LogP4.83
Rot. Bonds6

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 81354846) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID81354846
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NC(C)c2ccc(SC)cc2)c1
InChIInChI=1S/C18H23NOS/c1-13(15-8-10-18(21-4)11-9-15)19-14(2)16-6-5-7-17(12-16)20-3/h5-14,19H,1-4H3/t13?,14-/m0/s1
InChIKeyJGBBXYOZBYBQPR-KZUDCZAMSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382610
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81376210
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
(1R)-N-[1-(furan-3-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376126
(1S)-N-[1-(furan-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376667

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine (CID 81354846) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine is COc1cccc([C@H](C)NC(C)c2ccc(SC)cc2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is JGBBXYOZBYBQPR-KZUDCZAMSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13(15-8-10-18(21-4)11-9-15)19-14(2)16-6-5-7-17(12-16)20-3/h5-14,19H,1-4H3/t13?,14-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 301.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 81354846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).