(1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one

C16H26N2O — CID 143822735

IUPAC(1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one
SMILESCC(=O)[C@H](N)N(C)C(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-11(18(6)15(17)12(2)19)13-7-9-14(10-8-13)16(3,4)5/h7-11,15H,17H2,1-6H3/t11?,15-/m1/s1
InChIKeyBSNJCBRQBXHEFU-JOPIAHFSSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds4

About (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one

(1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one (PubChem CID 143822735) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one.

Molecular Properties

Compound Name(1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one
PubChem CID143822735
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one
SMILESCC(=O)[C@H](N)N(C)C(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-11(18(6)15(17)12(2)19)13-7-9-14(10-8-13)16(3,4)5/h7-11,15H,17H2,1-6H3/t11?,15-/m1/s1
InChIKeyBSNJCBRQBXHEFU-JOPIAHFSSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one?
The IUPAC name of (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one (CID 143822735) is (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one.
What is the SMILES notation for (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one?
The canonical SMILES for (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one is CC(=O)[C@H](N)N(C)C(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one?
The InChIKey is BSNJCBRQBXHEFU-JOPIAHFSSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(18(6)15(17)12(2)19)13-7-9-14(10-8-13)16(3,4)5/h7-11,15H,17H2,1-6H3/t11?,15-/m1/s1.
What are the key properties of (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one?
(1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one has a molecular weight of 262.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one is sourced from PubChem (CID 143822735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).