2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine

C14H23NOS — CID 115898754

IUPAC2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine
SMILESCC(C)C(NCC(C)S(C)=O)c1ccccc1
InChIInChI=1S/C14H23NOS/c1-11(2)14(13-8-6-5-7-9-13)15-10-12(3)17(4)16/h5-9,11-12,14-15H,10H2,1-4H3
InChIKeyUEZDVCHFPBRNTH-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine

2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine (PubChem CID 115898754) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine
PubChem CID115898754
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine
SMILESCC(C)C(NCC(C)S(C)=O)c1ccccc1
InChIInChI=1S/C14H23NOS/c1-11(2)14(13-8-6-5-7-9-13)15-10-12(3)17(4)16/h5-9,11-12,14-15H,10H2,1-4H3
InChIKeyUEZDVCHFPBRNTH-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
N-(1,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 115896303
N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 103897213
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
2-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 115974879
N-(2,2-diethoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 79548467
2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 115896237
[(1R)-1-methylsulfinylethyl]benzene
CID 15685613
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine (CID 115898754) is 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine is CC(C)C(NCC(C)S(C)=O)c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine?
The InChIKey is UEZDVCHFPBRNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11(2)14(13-8-6-5-7-9-13)15-10-12(3)17(4)16/h5-9,11-12,14-15H,10H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine?
2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 115898754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).