2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine

C16H23NO2 — CID 61364735

IUPAC2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2CC3CCC2C3)cc1OC
InChIInChI=1S/C16H23NO2/c1-18-14-6-5-12(9-15(14)19-2)16(17)13-8-10-3-4-11(13)7-10/h5-6,9-11,13,16H,3-4,7-8,17H2,1-2H3
InChIKeyQGQCWONLJDVCLE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.14
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine

2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine (PubChem CID 61364735) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
PubChem CID61364735
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2CC3CCC2C3)cc1OC
InChIInChI=1S/C16H23NO2/c1-18-14-6-5-12(9-15(14)19-2)16(17)13-8-10-3-4-11(13)7-10/h5-6,9-11,13,16H,3-4,7-8,17H2,1-2H3
InChIKeyQGQCWONLJDVCLE-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299135
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethoxyphenyl)ethanol
CID 61101402
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
2-[chloro-(2,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 63429581
2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
CID 116545069
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 63503340
2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114660326
(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methanamine
CID 43379643

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine (CID 61364735) is 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)C2CC3CCC2C3)cc1OC.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is QGQCWONLJDVCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-14-6-5-12(9-15(14)19-2)16(17)13-8-10-3-4-11(13)7-10/h5-6,9-11,13,16H,3-4,7-8,17H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine?
2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 61364735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).