(2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine

C19H24BrNO — CID 101466820

IUPAC(2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine
SMILESCOC[C@H](Br)CN(Cc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C19H24BrNO/c1-16(18-11-7-4-8-12-18)21(14-19(20)15-22-2)13-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3/t16-,19-/m1/s1
InChIKeyUXBPOENUESGNFA-VQIMIIECSA-N
MW362.31 g/mol
LogP4.66
Rot. Bonds8

About (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine

(2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine (PubChem CID 101466820) has the molecular formula C19H24BrNO and a molecular weight of 362.31 g/mol. Its IUPAC name is (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine
PubChem CID101466820
Molecular FormulaC19H24BrNO
Molecular Weight362.31 g/mol
Exact Mass361.10
IUPAC Name(2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine
SMILESCOC[C@H](Br)CN(Cc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C19H24BrNO/c1-16(18-11-7-4-8-12-18)21(14-19(20)15-22-2)13-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3/t16-,19-/m1/s1
InChIKeyUXBPOENUESGNFA-VQIMIIECSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine?
The IUPAC name of (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine (CID 101466820) is (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine?
The canonical SMILES for (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine is COC[C@H](Br)CN(Cc1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine?
The InChIKey is UXBPOENUESGNFA-VQIMIIECSA-N. The full InChI is InChI=1S/C19H24BrNO/c1-16(18-11-7-4-8-12-18)21(14-19(20)15-22-2)13-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3/t16-,19-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine?
(2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine has a molecular weight of 362.31 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-bromo-3-methoxy-N-[(1R)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 101466820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).