1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine

C19H25NOS — CID 177043052

IUPAC1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine
SMILESCC(C)Oc1ccc(SCc2ccccc2)cc1CN(C)C
InChIInChI=1S/C19H25NOS/c1-15(2)21-19-11-10-18(12-17(19)13-20(3)4)22-14-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3
InChIKeySTJACOOSQPHKOI-UHFFFAOYSA-N
MW315.48 g/mol
LogP4.83
Rot. Bonds7

About 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine

1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine (PubChem CID 177043052) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine
PubChem CID177043052
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine
SMILESCC(C)Oc1ccc(SCc2ccccc2)cc1CN(C)C
InChIInChI=1S/C19H25NOS/c1-15(2)21-19-11-10-18(12-17(19)13-20(3)4)22-14-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3
InChIKeySTJACOOSQPHKOI-UHFFFAOYSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine
CID 177043026
4-benzylsulfanyl-2-propan-2-yloxyaniline
CID 83002704
3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573271
1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 1044030
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-benzylsulfanyl-4-methylbenzene
CID 10940369
N-[(4-benzylsulfanyl-2-methylphenyl)methyl]ethanamine
CID 63806980
4-benzylsulfanyl-2-methoxybenzonitrile
CID 156555292
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride
CID 53313584
2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 54856739

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine (CID 177043052) is 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine is CC(C)Oc1ccc(SCc2ccccc2)cc1CN(C)C.
What is the InChIKey of 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is STJACOOSQPHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c1-15(2)21-19-11-10-18(12-17(19)13-20(3)4)22-14-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine?
1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 315.48 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 177043052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).