1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine

C16H22BrN — CID 114246647

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1C)C1CC2CCC1C2
InChIInChI=1S/C16H22BrN/c1-10-3-6-13(17)9-14(10)16(18-2)15-8-11-4-5-12(15)7-11/h3,6,9,11-12,15-16,18H,4-5,7-8H2,1-2H3
InChIKeyIXZCRQCEGDJKCE-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.45
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine

1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine (PubChem CID 114246647) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
PubChem CID114246647
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1C)C1CC2CCC1C2
InChIInChI=1S/C16H22BrN/c1-10-3-6-13(17)9-14(10)16(18-2)15-8-11-4-5-12(15)7-11/h3,6,9,11-12,15-16,18H,4-5,7-8H2,1-2H3
InChIKeyIXZCRQCEGDJKCE-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 113383522
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine
CID 114246694
2-[(5-bromo-2-methylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953849
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromothiophen-2-yl)-N-methylmethanamine
CID 61363969
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 63502879
1-(2-bicyclo[2.2.1]heptanyl)-1-(7-bromo-1-benzothiophen-3-yl)-N-methylmethanamine
CID 81133126
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951206
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 114246814
N-[2-bicyclo[2.2.1]heptanyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63502670
[2-bicyclo[2.2.1]heptanyl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130879
N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503991

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine (CID 114246647) is 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine is CNC(c1cc(Br)ccc1C)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine?
The InChIKey is IXZCRQCEGDJKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-10-3-6-13(17)9-14(10)16(18-2)15-8-11-4-5-12(15)7-11/h3,6,9,11-12,15-16,18H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine has a molecular weight of 308.26 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 114246647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).