2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline

C14H20N2O — CID 113305294

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(CN2CC3CCC2C3)c1
InChIInChI=1S/C14H20N2O/c1-17-13-4-5-14(15)11(7-13)9-16-8-10-2-3-12(16)6-10/h4-5,7,10,12H,2-3,6,8-9,15H2,1H3
InChIKeyPLHSFDJKLJJBGN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline (PubChem CID 113305294) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline
PubChem CID113305294
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(CN2CC3CCC2C3)c1
InChIInChI=1S/C14H20N2O/c1-17-13-4-5-14(15)11(7-13)9-16-8-10-2-3-12(16)6-10/h4-5,7,10,12H,2-3,6,8-9,15H2,1H3
InChIKeyPLHSFDJKLJJBGN-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline
CID 61072763
(1R,4S)-2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-2-azabicyclo[2.2.1]heptane
CID 171908222
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid
CID 62018786
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 113305258
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxyaniline
CID 115413949
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]aniline
CID 54980569
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-methoxyaniline
CID 82750106
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxyaniline
CID 63678131
4-methoxy-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]aniline
CID 115414078

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline (CID 113305294) is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline is COc1ccc(N)c(CN2CC3CCC2C3)c1.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline?
The InChIKey is PLHSFDJKLJJBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-13-4-5-14(15)11(7-13)9-16-8-10-2-3-12(16)6-10/h4-5,7,10,12H,2-3,6,8-9,15H2,1H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline?
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline has a molecular weight of 232.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline is sourced from PubChem (CID 113305294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).