N-(2-bicyclo[2.2.1]heptanylmethyl)aniline

C14H19N — CID 15638300

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)aniline
SMILESc1ccc(NCC2CC3CCC2C3)cc1
InChIInChI=1S/C14H19N/c1-2-4-14(5-3-1)15-10-13-9-11-6-7-12(13)8-11/h1-5,11-13,15H,6-10H2
InChIKeyXTAFIXDUWCLFCT-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.53
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)aniline

N-(2-bicyclo[2.2.1]heptanylmethyl)aniline (PubChem CID 15638300) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)aniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)aniline
PubChem CID15638300
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)aniline
SMILESc1ccc(NCC2CC3CCC2C3)cc1
InChIInChI=1S/C14H19N/c1-2-4-14(5-3-1)15-10-13-9-11-6-7-12(13)8-11/h1-5,11-13,15H,6-10H2
InChIKeyXTAFIXDUWCLFCT-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)aniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)aniline (CID 15638300) is N-(2-bicyclo[2.2.1]heptanylmethyl)aniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)aniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)aniline is c1ccc(NCC2CC3CCC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)aniline?
The InChIKey is XTAFIXDUWCLFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-4-14(5-3-1)15-10-13-9-11-6-7-12(13)8-11/h1-5,11-13,15H,6-10H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)aniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)aniline has a molecular weight of 201.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)aniline is sourced from PubChem (CID 15638300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).