3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine

C14H20N2 — CID 162624316

IUPAC3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine
SMILESNCC1C2CCC(C2)C1Nc1ccccc1
InChIInChI=1S/C14H20N2/c15-9-13-10-6-7-11(8-10)14(13)16-12-4-2-1-3-5-12/h1-5,10-11,13-14,16H,6-9,15H2
InChIKeyUPIHOFINBQCXBR-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.47
Rot. Bonds3

About 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine

3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine (PubChem CID 162624316) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine
PubChem CID162624316
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine
SMILESNCC1C2CCC(C2)C1Nc1ccccc1
InChIInChI=1S/C14H20N2/c15-9-13-10-6-7-11(8-10)14(13)16-12-4-2-1-3-5-12/h1-5,10-11,13-14,16H,6-9,15H2
InChIKeyUPIHOFINBQCXBR-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine (CID 162624316) is 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine is NCC1C2CCC(C2)C1Nc1ccccc1.
What is the InChIKey of 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is UPIHOFINBQCXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-9-13-10-6-7-11(8-10)14(13)16-12-4-2-1-3-5-12/h1-5,10-11,13-14,16H,6-9,15H2.
What are the key properties of 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine?
3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-phenylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 162624316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).