(2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine

C18H23NO2S — CID 97222553

IUPAC(2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OC[C@@H](C)NCc2ccc([S@@](C)=O)cc2)cc1
InChIInChI=1S/C18H23NO2S/c1-14-4-8-17(9-5-14)21-13-15(2)19-12-16-6-10-18(11-7-16)22(3)20/h4-11,15,19H,12-13H2,1-3H3/t15-,22-/m1/s1
InChIKeyMUUWVHMSAOPYSV-IVZQSRNASA-N
MW317.45 g/mol
LogP3.29
Rot. Bonds7

About (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine

(2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine (PubChem CID 97222553) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine
PubChem CID97222553
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name(2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OC[C@@H](C)NCc2ccc([S@@](C)=O)cc2)cc1
InChIInChI=1S/C18H23NO2S/c1-14-4-8-17(9-5-14)21-13-15(2)19-12-16-6-10-18(11-7-16)22(3)20/h4-11,15,19H,12-13H2,1-3H3/t15-,22-/m1/s1
InChIKeyMUUWVHMSAOPYSV-IVZQSRNASA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-amine
CID 10638052
N-[2-(2,5-difluorophenoxy)ethyl]-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
CID 145967562
N-[2-(2,5-difluorophenoxy)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
CID 145972633
[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine
CID 1615655
(2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031519
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-methylphenoxy)acetamide
CID 24981248
4-{2-[(4-Ethoxybenzyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2970120
4-(2-{[4-(Allyloxy)benzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 2967929
3-Methyl-1-[(4-methylsulfanylphenyl)methyl]-3-phenoxypyrrolidine
CID 46948579
3-(4-Ethylphenoxy)-3-methyl-1-[(4-methylsulfanylphenyl)methyl]pyrrolidine
CID 49786627
N-Benzyl-1-phenoxypropan-2-amine
CID 15579473
(4-Methoxy-benzyl)-(4-methylsulfanyl-benzyl)-amine
CID 738580

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine?
The IUPAC name of (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine (CID 97222553) is (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine is Cc1ccc(OC[C@@H](C)NCc2ccc([S@@](C)=O)cc2)cc1.
What is the InChIKey of (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine?
The InChIKey is MUUWVHMSAOPYSV-IVZQSRNASA-N. The full InChI is InChI=1S/C18H23NO2S/c1-14-4-8-17(9-5-14)21-13-15(2)19-12-16-6-10-18(11-7-16)22(3)20/h4-11,15,19H,12-13H2,1-3H3/t15-,22-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine?
(2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine has a molecular weight of 317.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 97222553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).