3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine

C15H22BrN — CID 65015369

IUPAC3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine
SMILESCC1CC1CN(C)CC(CBr)c1ccccc1
InChIInChI=1S/C15H22BrN/c1-12-8-14(12)10-17(2)11-15(9-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyYYOAWDPYDYKTNI-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.75
Rot. Bonds6

About 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine

3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine (PubChem CID 65015369) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine
PubChem CID65015369
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine
SMILESCC1CC1CN(C)CC(CBr)c1ccccc1
InChIInChI=1S/C15H22BrN/c1-12-8-14(12)10-17(2)11-15(9-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyYYOAWDPYDYKTNI-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
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 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine (CID 65015369) is 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine is CC1CC1CN(C)CC(CBr)c1ccccc1.
What is the InChIKey of 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine?
The InChIKey is YYOAWDPYDYKTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12-8-14(12)10-17(2)11-15(9-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine?
3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 65015369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).