(2S)-1-bromo-1,1-diphenylpentan-2-amine

C17H20BrN — CID 141139312

IUPAC(2S)-1-bromo-1,1-diphenylpentan-2-amine
SMILESCCC[C@H](N)C(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20BrN/c1-2-9-16(19)17(18,14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9,19H2,1H3/t16-/m0/s1
InChIKeyGNZAOVJKRSHKLW-INIZCTEOSA-N
MW318.26 g/mol
LogP4.45
Rot. Bonds5

About (2S)-1-bromo-1,1-diphenylpentan-2-amine

(2S)-1-bromo-1,1-diphenylpentan-2-amine (PubChem CID 141139312) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is (2S)-1-bromo-1,1-diphenylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-bromo-1,1-diphenylpentan-2-amine
PubChem CID141139312
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name(2S)-1-bromo-1,1-diphenylpentan-2-amine
SMILESCCC[C@H](N)C(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20BrN/c1-2-9-16(19)17(18,14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9,19H2,1H3/t16-/m0/s1
InChIKeyGNZAOVJKRSHKLW-INIZCTEOSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-bromo-1,1-diphenylpentan-2-amine?
The IUPAC name of (2S)-1-bromo-1,1-diphenylpentan-2-amine (CID 141139312) is (2S)-1-bromo-1,1-diphenylpentan-2-amine.
What is the SMILES notation for (2S)-1-bromo-1,1-diphenylpentan-2-amine?
The canonical SMILES for (2S)-1-bromo-1,1-diphenylpentan-2-amine is CCC[C@H](N)C(Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-bromo-1,1-diphenylpentan-2-amine?
The InChIKey is GNZAOVJKRSHKLW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20BrN/c1-2-9-16(19)17(18,14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9,19H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-bromo-1,1-diphenylpentan-2-amine?
(2S)-1-bromo-1,1-diphenylpentan-2-amine has a molecular weight of 318.26 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-bromo-1,1-diphenylpentan-2-amine is sourced from PubChem (CID 141139312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).