1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine

C17H25NO — CID 82710310

IUPAC1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NOCc1ccccc1
InChIInChI=1S/C17H25NO/c1-16(2)14-9-10-17(3,11-14)15(16)18-19-12-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3
InChIKeyLWPHJEQOEOQADP-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.92
Rot. Bonds4

About 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine

1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine (PubChem CID 82710310) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine
PubChem CID82710310
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NOCc1ccccc1
InChIInChI=1S/C17H25NO/c1-16(2)14-9-10-17(3,11-14)15(16)18-19-12-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3
InChIKeyLWPHJEQOEOQADP-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine (CID 82710310) is 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine is CC12CCC(C1)C(C)(C)C2NOCc1ccccc1.
What is the InChIKey of 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine?
The InChIKey is LWPHJEQOEOQADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)14-9-10-17(3,11-14)15(16)18-19-12-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine?
1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 82710310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).