(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine

C10H15NOS — CID 55270386

IUPAC(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
SMILESCOC[C@H](N)c1ccc(SC)cc1
InChIInChI=1S/C10H15NOS/c1-12-7-10(11)8-3-5-9(13-2)6-4-8/h3-6,10H,7,11H2,1-2H3/t10-/m0/s1
InChIKeyNTTFPYGDGRJHAB-JTQLQIEISA-N
MW197.30 g/mol
LogP2.05
Rot. Bonds4

About (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine

(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 55270386) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID55270386
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
SMILESCOC[C@H](N)c1ccc(SC)cc1
InChIInChI=1S/C10H15NOS/c1-12-7-10(11)8-3-5-9(13-2)6-4-8/h3-6,10H,7,11H2,1-2H3/t10-/m0/s1
InChIKeyNTTFPYGDGRJHAB-JTQLQIEISA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171212727
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
2-methoxy-1-[4-(methoxymethyl)phenyl]ethanamine
CID 18507864
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-amine
CID 112693648
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
CID 105028980
1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride
CID 86262911

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine (CID 55270386) is (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine is COC[C@H](N)c1ccc(SC)cc1.
What is the InChIKey of (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is NTTFPYGDGRJHAB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NOS/c1-12-7-10(11)8-3-5-9(13-2)6-4-8/h3-6,10H,7,11H2,1-2H3/t10-/m0/s1.
What are the key properties of (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine?
(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 197.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 55270386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).