2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine

C15H20BrNO — CID 65019830

IUPAC2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(CC2(N)CC3CCC2C3)cc1Br
InChIInChI=1S/C15H20BrNO/c1-18-14-5-3-11(7-13(14)16)9-15(17)8-10-2-4-12(15)6-10/h3,5,7,10,12H,2,4,6,8-9,17H2,1H3
InChIKeyAOMXUFXFPNDRIE-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.52
Rot. Bonds3

About 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine

2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 65019830) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID65019830
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(CC2(N)CC3CCC2C3)cc1Br
InChIInChI=1S/C15H20BrNO/c1-18-14-5-3-11(7-13(14)16)9-15(17)8-10-2-4-12(15)6-10/h3,5,7,10,12H,2,4,6,8-9,17H2,1H3
InChIKeyAOMXUFXFPNDRIE-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3-bromo-4-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 55106776
2-(2,3-dihydro-1H-inden-5-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020057
1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735356
2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65020172
3-[(3-bromo-4-methoxyphenyl)methyl]-3-cyclopentylazetidine
CID 112571335
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64514304
2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 106273551
1-[(3-bromo-4-methoxyphenyl)methyl]-3,3,5-trimethylcyclohexan-1-ol
CID 63409095
[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65395564
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65394935
2-(bromomethyl)-2-[(2-methoxy-5-methylphenyl)methyl]bicyclo[2.2.1]heptane
CID 66050817

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 65019830) is 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine is COc1ccc(CC2(N)CC3CCC2C3)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is AOMXUFXFPNDRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-18-14-5-3-11(7-13(14)16)9-15(17)8-10-2-4-12(15)6-10/h3,5,7,10,12H,2,4,6,8-9,17H2,1H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 310.24 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65019830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).