[2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine

C14H20N2O — CID 117194050

IUPAC[2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCOc1ccc(C2(CN)CC3CCC2N3)cc1
InChIInChI=1S/C14H20N2O/c1-17-12-5-2-10(3-6-12)14(9-15)8-11-4-7-13(14)16-11/h2-3,5-6,11,13,16H,4,7-9,15H2,1H3
InChIKeyRCNQHJAIBHJPIV-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.42
Rot. Bonds3

About [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine

[2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 117194050) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID117194050
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCOc1ccc(C2(CN)CC3CCC2N3)cc1
InChIInChI=1S/C14H20N2O/c1-17-12-5-2-10(3-6-12)14(9-15)8-11-4-7-13(14)16-11/h2-3,5-6,11,13,16H,4,7-9,15H2,1H3
InChIKeyRCNQHJAIBHJPIV-UHFFFAOYSA-N
XLogP1.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
1-(4-methoxyphenyl)-5-azabicyclo[2.1.1]hexane
CID 115059491
[3-(4-methoxyphenyl)thian-3-yl]methanamine
CID 83824518
[(1R)-2-(4-methoxyphenyl)-2-propan-2-ylcyclopropyl]methanamine
CID 105474852
[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
CID 113404750
2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
CID 7198410
3-(4-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538662
1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 64733935
3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol
CID 115025190
1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751441
4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 114486964
2-[1-(4-methoxyphenyl)cyclopropyl]pyrrolidine
CID 83910096

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine (CID 117194050) is [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine is COc1ccc(C2(CN)CC3CCC2N3)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is RCNQHJAIBHJPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-12-5-2-10(3-6-12)14(9-15)8-11-4-7-13(14)16-11/h2-3,5-6,11,13,16H,4,7-9,15H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
[2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 117194050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).