N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine

C16H27NOS — CID 104537498

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine
SMILESCC(C)Cc1ccc(C(C)NC(C)CS(C)=O)cc1
InChIInChI=1S/C16H27NOS/c1-12(2)10-15-6-8-16(9-7-15)14(4)17-13(3)11-19(5)18/h6-9,12-14,17H,10-11H2,1-5H3
InChIKeyLBCBQBYWGZVGPU-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.30
Rot. Bonds7

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine (PubChem CID 104537498) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine
PubChem CID104537498
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine
SMILESCC(C)Cc1ccc(C(C)NC(C)CS(C)=O)cc1
InChIInChI=1S/C16H27NOS/c1-12(2)10-15-6-8-16(9-7-15)14(4)17-13(3)11-19(5)18/h6-9,12-14,17H,10-11H2,1-5H3
InChIKeyLBCBQBYWGZVGPU-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine
CID 104537779
4-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]benzonitrile
CID 113424502
N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
CID 55193146
2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]benzene-1,3-diol
CID 107711277
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-methylsulfinyl-N-propan-2-ylpropan-2-amine
CID 104537797
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene
CID 139793494
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine (CID 104537498) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine is CC(C)Cc1ccc(C(C)NC(C)CS(C)=O)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine?
The InChIKey is LBCBQBYWGZVGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-12(2)10-15-6-8-16(9-7-15)14(4)17-13(3)11-19(5)18/h6-9,12-14,17H,10-11H2,1-5H3.
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine is sourced from PubChem (CID 104537498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).