2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine

C14H23NOS — CID 71922652

IUPAC2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(S(C)=O)cc1
InChIInChI=1S/C14H23NOS/c1-5-10-14(2,3)15-11-12-6-8-13(9-7-12)17(4)16/h6-9,15H,5,10-11H2,1-4H3
InChIKeyWEEGDGDQDWXJFV-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.09
Rot. Bonds6

About 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine

2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine (PubChem CID 71922652) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine
PubChem CID71922652
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(S(C)=O)cc1
InChIInChI=1S/C14H23NOS/c1-5-10-14(2,3)15-11-12-6-8-13(9-7-12)17(4)16/h6-9,15H,5,10-11H2,1-4H3
InChIKeyWEEGDGDQDWXJFV-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-Ethylamino-1-(4-methylthiophenyl)propane
CID 21978439
N-methyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882957
4-Methylsulfonylbenzylamine
CID 57421
4-(Methylthio)benzylamine
CID 2760080
2-N-Allylamino-1-(4-methylthiophenyl)propan
CID 44613067
2-N-Propargylamino-1-(4-methylthiophenyl)propane
CID 44613068
2-N-Methylamino-1-(4-ethylthiophenyl)propane
CID 44613451
2-N-Ethylamino-1-(4-ethylthiophenyl)propane
CID 44613452
2-N-Methylamino-1-(4-methylthiophenyl)butane
CID 44613575
2-N-Ethylamino-1-(4-methylthiophenyl)butane
CID 44613576
2-N-(n-Propyl)amino-1-(4-methylthiophenyl)butane
CID 44613577
2-N-Cyclopropylamino-1-(4-methylthiophenyl)butane
CID 44613579

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine?
The IUPAC name of 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine (CID 71922652) is 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine?
The canonical SMILES for 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine is CCCC(C)(C)NCc1ccc(S(C)=O)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine?
The InChIKey is WEEGDGDQDWXJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-10-14(2,3)15-11-12-6-8-13(9-7-12)17(4)16/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine?
2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 71922652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).