[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine

C15H21NO2 — CID 114245408

IUPAC[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OC2CC3CCC2C3)c1
InChIInChI=1S/C15H21NO2/c1-17-13-5-4-12(9-16)15(8-13)18-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9,16H2,1H3
InChIKeyBFDMWNDSUPSZLC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.72
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine

[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine (PubChem CID 114245408) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine
PubChem CID114245408
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OC2CC3CCC2C3)c1
InChIInChI=1S/C15H21NO2/c1-17-13-5-4-12(9-16)15(8-13)18-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9,16H2,1H3
InChIKeyBFDMWNDSUPSZLC-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine with MolForge

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Related Compounds

2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane
CID 114245608
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
CID 114245403
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
[4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorophenyl]methanamine
CID 117052546
4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine
CID 21221238
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 98124868
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711
3-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 129362758
3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 14010156
(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
CID 114245427

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine (CID 114245408) is [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(OC2CC3CCC2C3)c1.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine?
The InChIKey is BFDMWNDSUPSZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-13-5-4-12(9-16)15(8-13)18-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9,16H2,1H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine?
[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 114245408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).