1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

C18H20BrN — CID 105052519

IUPAC1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1cc(C)ccc1Br)C1CC1c1ccccc1
InChIInChI=1S/C18H20BrN/c1-12-8-9-17(19)16(10-12)18(20-2)15-11-14(15)13-6-4-3-5-7-13/h3-10,14-15,18,20H,11H2,1-2H3
InChIKeyVIZVZQWYQIZTLA-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.82
Rot. Bonds4

About 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (PubChem CID 105052519) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
PubChem CID105052519
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1cc(C)ccc1Br)C1CC1c1ccccc1
InChIInChI=1S/C18H20BrN/c1-12-8-9-17(19)16(10-12)18(20-2)15-11-14(15)13-6-4-3-5-7-13/h3-10,14-15,18,20H,11H2,1-2H3
InChIKeyVIZVZQWYQIZTLA-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105398891
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
[(2,4-dimethylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105304709
1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052707
N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115855352
[(4-bromo-3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341455
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517909
[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341547
[(3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105200887
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517836
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052563

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (CID 105052519) is 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is CNC(c1cc(C)ccc1Br)C1CC1c1ccccc1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is VIZVZQWYQIZTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-12-8-9-17(19)16(10-12)18(20-2)15-11-14(15)13-6-4-3-5-7-13/h3-10,14-15,18,20H,11H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 330.27 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105052519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).