N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine

C18H23NOS — CID 105019109

IUPACN-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)c1ccccc1SC
InChIInChI=1S/C18H23NOS/c1-13(2)20-15-9-7-8-14(12-15)18(19-3)16-10-5-6-11-17(16)21-4/h5-13,18-19H,1-4H3
InChIKeyUAJXJJLDPUPYDO-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.50
Rot. Bonds6

About N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine

N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 105019109) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine
PubChem CID105019109
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)c1ccccc1SC
InChIInChI=1S/C18H23NOS/c1-13(2)20-15-9-7-8-14(12-15)18(19-3)16-10-5-6-11-17(16)21-4/h5-13,18-19H,1-4H3
InChIKeyUAJXJJLDPUPYDO-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-methylphenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019002
1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105013685
[(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330517
1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
1-(2,6-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019039
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105171386
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215705
[(2-iodophenyl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326447
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 115567259
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 103406915
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214753

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine (CID 105019109) is N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine is CNC(c1cccc(OC(C)C)c1)c1ccccc1SC.
What is the InChIKey of N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is UAJXJJLDPUPYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13(2)20-15-9-7-8-14(12-15)18(19-3)16-10-5-6-11-17(16)21-4/h5-13,18-19H,1-4H3.
What are the key properties of N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine?
N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105019109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).