2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine

C17H25NO — CID 112614818

IUPAC2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCC1CC2CCC1C2
InChIInChI=1S/C17H25NO/c1-12-3-2-4-14(7-8-18)17(12)19-11-16-10-13-5-6-15(16)9-13/h2-4,13,15-16H,5-11,18H2,1H3
InChIKeyLVUQQASRCJFJDB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.31
Rot. Bonds5

About 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine

2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine (PubChem CID 112614818) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
PubChem CID112614818
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCC1CC2CCC1C2
InChIInChI=1S/C17H25NO/c1-12-3-2-4-14(7-8-18)17(12)19-11-16-10-13-5-6-15(16)9-13/h2-4,13,15-16H,5-11,18H2,1H3
InChIKeyLVUQQASRCJFJDB-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine
CID 79562530
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608431
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 79559319
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 79562030
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine
CID 115960993
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline
CID 107105713
2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
CID 79563052
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]methyl]ethanamine
CID 115961161
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethylphenyl)ethyl]hydrazine
CID 114027392

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine (CID 112614818) is 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine is Cc1cccc(CCN)c1OCC1CC2CCC1C2.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine?
The InChIKey is LVUQQASRCJFJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-3-2-4-14(7-8-18)17(12)19-11-16-10-13-5-6-15(16)9-13/h2-4,13,15-16H,5-11,18H2,1H3.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine?
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine is sourced from PubChem (CID 112614818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).