[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine

C13H18N2 — CID 84670926

IUPAC[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
SMILESNCc1cccc(N2CC3CC(C3)C2)c1
InChIInChI=1S/C13H18N2/c14-7-10-2-1-3-13(6-10)15-8-11-4-12(5-11)9-15/h1-3,6,11-12H,4-5,7-9,14H2
InChIKeyTUDNENGGHFCIEV-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.99
Rot. Bonds2

About [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine

[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine (PubChem CID 84670926) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
PubChem CID84670926
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
SMILESNCc1cccc(N2CC3CC(C3)C2)c1
InChIInChI=1S/C13H18N2/c14-7-10-2-1-3-13(6-10)15-8-11-4-12(5-11)9-15/h1-3,6,11-12H,4-5,7-9,14H2
InChIKeyTUDNENGGHFCIEV-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777953
[3-(3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777501
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932040
[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 115025964
3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458801
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
2-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanamine
CID 84794845
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
3-(3-azabicyclo[3.1.1]heptan-3-yl)benzaldehyde
CID 84776343
[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 82514499

Frequently Asked Questions

What is the IUPAC name of [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine?
The IUPAC name of [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine (CID 84670926) is [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine?
The canonical SMILES for [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine is NCc1cccc(N2CC3CC(C3)C2)c1.
What is the InChIKey of [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine?
The InChIKey is TUDNENGGHFCIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-7-10-2-1-3-13(6-10)15-8-11-4-12(5-11)9-15/h1-3,6,11-12H,4-5,7-9,14H2.
What are the key properties of [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine?
[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine is sourced from PubChem (CID 84670926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).