N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine

C16H23NO2 — CID 23736358

IUPACN-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCOc1cc(CNC2CC3CCC2C3)cc(OC)c1
InChIInChI=1S/C16H23NO2/c1-18-14-6-12(7-15(9-14)19-2)10-17-16-8-11-3-4-13(16)5-11/h6-7,9,11,13,16-17H,3-5,8,10H2,1-2H3
InChIKeyXAFMGMIXOREPAN-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.98
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine

N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 23736358) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID23736358
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCOc1cc(CNC2CC3CCC2C3)cc(OC)c1
InChIInChI=1S/C16H23NO2/c1-18-14-6-12(7-15(9-14)19-2)10-17-16-8-11-3-4-13(16)5-11/h6-7,9,11,13,16-17H,3-5,8,10H2,1-2H3
InChIKeyXAFMGMIXOREPAN-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 75440752
(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-(3,5-dimethoxyphenyl)ethanol
CID 98855938
(1R)-2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-(3,5-dimethoxyphenyl)ethanol
CID 98855935
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 115335798
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789769
N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 130636961
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
(1R,2R,4R)-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 98109752
4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314391

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 23736358) is N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine is COc1cc(CNC2CC3CCC2C3)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is XAFMGMIXOREPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-14-6-12(7-15(9-14)19-2)10-17-16-8-11-3-4-13(16)5-11/h6-7,9,11,13,16-17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 23736358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).