4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline

C16H23NO — CID 79554738

IUPAC4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
SMILESCc1cc(OCC2CC3CCC2C3)c(C)cc1N
InChIInChI=1S/C16H23NO/c1-10-6-16(11(2)5-15(10)17)18-9-14-8-12-3-4-13(14)7-12/h5-6,12-14H,3-4,7-9,17H2,1-2H3
InChIKeySZLNWMSMAIVGTP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.70
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline

4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline (PubChem CID 79554738) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
PubChem CID79554738
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
SMILESCc1cc(OCC2CC3CCC2C3)c(C)cc1N
InChIInChI=1S/C16H23NO/c1-10-6-16(11(2)5-15(10)17)18-9-14-8-12-3-4-13(14)7-12/h5-6,12-14H,3-4,7-9,17H2,1-2H3
InChIKeySZLNWMSMAIVGTP-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
CID 79552519
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine
CID 115960993
2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
CID 79563052
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine
CID 79562862
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
CID 83265353
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,6-dimethylbenzenesulfonyl chloride
CID 79562208
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile
CID 79552038
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
CID 107701303
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 79554576
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine
CID 79562179
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide
CID 79558786

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline (CID 79554738) is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline is Cc1cc(OCC2CC3CCC2C3)c(C)cc1N.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline?
The InChIKey is SZLNWMSMAIVGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-6-16(11(2)5-15(10)17)18-9-14-8-12-3-4-13(14)7-12/h5-6,12-14H,3-4,7-9,17H2,1-2H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline?
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline has a molecular weight of 245.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline is sourced from PubChem (CID 79554738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).