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

C13H18N2 — CID 55031754

IUPAC[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
SMILESNCc1ccc(N2CC3CCC2C3)cc1
InChIInChI=1S/C13H18N2/c14-8-10-1-4-12(5-2-10)15-9-11-3-6-13(15)7-11/h1-2,4-5,11,13H,3,6-9,14H2
InChIKeyDOLLUAUAOQKWNS-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.13
Rot. Bonds2

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

[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine (PubChem CID 55031754) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
PubChem CID55031754
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
SMILESNCc1ccc(N2CC3CCC2C3)cc1
InChIInChI=1S/C13H18N2/c14-8-10-1-4-12(5-2-10)15-9-11-3-6-13(15)7-11/h1-2,4-5,11,13H,3,6-9,14H2
InChIKeyDOLLUAUAOQKWNS-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine
CID 63816691
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine
CID 63087172
(1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
CID 63368563
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]propan-1-amine
CID 114066118
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxybenzenecarboximidamide
CID 54980529
ethyl 4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]benzoate
CID 70672819
2-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 123155106
[2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine
CID 105389495
(1R,4S)-2-(4-pyrimidin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane
CID 70792646
[4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine
CID 117050635
2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine
CID 63787034
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine
CID 54980919

Frequently Asked Questions

What is the IUPAC name of [4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine?
The IUPAC name of [4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine (CID 55031754) is [4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine is NCc1ccc(N2CC3CCC2C3)cc1.
What is the InChIKey of [4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine?
The InChIKey is DOLLUAUAOQKWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-8-10-1-4-12(5-2-10)15-9-11-3-6-13(15)7-11/h1-2,4-5,11,13H,3,6-9,14H2.
What are the key properties of [4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine?
[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine is sourced from PubChem (CID 55031754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).