(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine

C10H14BrN — CID 87517815

IUPAC(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
SMILESC[C@H](Cc1ccccc1)N(C)Br
InChIInChI=1S/C10H14BrN/c1-9(12(2)11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyKWZYFZHKYPAWMD-SECBINFHSA-N
MW228.13 g/mol
LogP2.86
Rot. Bonds3

About (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine

(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine (PubChem CID 87517815) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
PubChem CID87517815
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
SMILESC[C@H](Cc1ccccc1)N(C)Br
InChIInChI=1S/C10H14BrN/c1-9(12(2)11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyKWZYFZHKYPAWMD-SECBINFHSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-bromo-N-chloro-1-phenylpropan-2-amine
CID 90999480
N-bromo-N-chloro-1-phenylpropan-2-amine
CID 143939583
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
CID 113285453
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine
CID 110174057
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine chloride
CID 45114220
N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N-methyl-5-phenyl-N-(1-phenylpropan-2-yl)pentan-1-amine
CID 14831238

Frequently Asked Questions

What is the IUPAC name of (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine (CID 87517815) is (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine is C[C@H](Cc1ccccc1)N(C)Br.
What is the InChIKey of (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine?
The InChIKey is KWZYFZHKYPAWMD-SECBINFHSA-N. The full InChI is InChI=1S/C10H14BrN/c1-9(12(2)11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine?
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine has a molecular weight of 228.13 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-bromo-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 87517815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).