N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline

C15H18ClNO — CID 55192947

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCC2CC3C=CC2C3)c1
InChIInChI=1S/C15H18ClNO/c1-18-13-4-5-14(16)15(8-13)17-9-12-7-10-2-3-11(12)6-10/h2-5,8,10-12,17H,6-7,9H2,1H3
InChIKeyJYWIWMGDXWRUMW-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.97
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline (PubChem CID 55192947) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline
PubChem CID55192947
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCC2CC3C=CC2C3)c1
InChIInChI=1S/C15H18ClNO/c1-18-13-4-5-14(16)15(8-13)17-9-12-7-10-2-3-11(12)6-10/h2-5,8,10-12,17H,6-7,9H2,1H3
InChIKeyJYWIWMGDXWRUMW-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline (CID 55192947) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline is COc1ccc(Cl)c(NCC2CC3C=CC2C3)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline?
The InChIKey is JYWIWMGDXWRUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-18-13-4-5-14(16)15(8-13)17-9-12-7-10-2-3-11(12)6-10/h2-5,8,10-12,17H,6-7,9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline has a molecular weight of 263.77 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline is sourced from PubChem (CID 55192947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).