2-methyl-1-phenylpropan-2-amine;sulfuric acid

C10H17NO4S — CID 174984746

IUPAC2-methyl-1-phenylpropan-2-amine;sulfuric acid
SMILESCC(C)(N)Cc1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C10H15N.H2O4S/c1-10(2,11)8-9-6-4-3-5-7-9;1-5(2,3)4/h3-7H,8,11H2,1-2H3;(H2,1,2,3,4)
InChIKeyPHWSSZQXPSJXID-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.31
Rot. Bonds2

About 2-methyl-1-phenylpropan-2-amine;sulfuric acid

2-methyl-1-phenylpropan-2-amine;sulfuric acid (PubChem CID 174984746) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-1-phenylpropan-2-amine;sulfuric acid.

Molecular Properties

Compound Name2-methyl-1-phenylpropan-2-amine;sulfuric acid
PubChem CID174984746
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-methyl-1-phenylpropan-2-amine;sulfuric acid
SMILESCC(C)(N)Cc1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C10H15N.H2O4S/c1-10(2,11)8-9-6-4-3-5-7-9;1-5(2,3)4/h3-7H,8,11H2,1-2H3;(H2,1,2,3,4)
InChIKeyPHWSSZQXPSJXID-UHFFFAOYSA-N
XLogP1.31
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
CID 70047843
2-amino-1-phenylpropan-2-ol;sulfo hydrogen sulfate
CID 69452093
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
4-(2-amino-2-methylpropyl)benzenesulfonamide
CID 130155148
2-hydroxy-1,3-diphenylpropane-2-sulfonic acid
CID 103574168
1-amino-1-benzylsulfonylethanol
CID 154095200
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
CID 177194439
2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
CID 70041111
2,2-dimethylpropylbenzene;methanol
CID 157125736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpropan-2-amine;sulfuric acid?
The IUPAC name of 2-methyl-1-phenylpropan-2-amine;sulfuric acid (CID 174984746) is 2-methyl-1-phenylpropan-2-amine;sulfuric acid.
What is the SMILES notation for 2-methyl-1-phenylpropan-2-amine;sulfuric acid?
The canonical SMILES for 2-methyl-1-phenylpropan-2-amine;sulfuric acid is CC(C)(N)Cc1ccccc1.O=S(=O)(O)O.
What is the InChIKey of 2-methyl-1-phenylpropan-2-amine;sulfuric acid?
The InChIKey is PHWSSZQXPSJXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.H2O4S/c1-10(2,11)8-9-6-4-3-5-7-9;1-5(2,3)4/h3-7H,8,11H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 2-methyl-1-phenylpropan-2-amine;sulfuric acid?
2-methyl-1-phenylpropan-2-amine;sulfuric acid has a molecular weight of 247.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpropan-2-amine;sulfuric acid is sourced from PubChem (CID 174984746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).