N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline

C14H15Cl2N — CID 43760335

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
SMILESClc1cc(Cl)cc(NCC2CC3C=CC2C3)c1
InChIInChI=1S/C14H15Cl2N/c15-12-5-13(16)7-14(6-12)17-8-11-4-9-1-2-10(11)3-9/h1-2,5-7,9-11,17H,3-4,8H2
InChIKeyJICHOXSSNFEICH-UHFFFAOYSA-N
MW268.19 g/mol
LogP4.62
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline (PubChem CID 43760335) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
PubChem CID43760335
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
SMILESClc1cc(Cl)cc(NCC2CC3C=CC2C3)c1
InChIInChI=1S/C14H15Cl2N/c15-12-5-13(16)7-14(6-12)17-8-11-4-9-1-2-10(11)3-9/h1-2,5-7,9-11,17H,3-4,8H2
InChIKeyJICHOXSSNFEICH-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloro-4-(difluoromethoxy)aniline
CID 63449782
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-bromoaniline
CID 43762851
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
CID 43789197
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide
CID 43782533
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide
CID 43787041
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline
CID 55192947
1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione
CID 122158633
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide
CID 43761234

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline (CID 43760335) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline is Clc1cc(Cl)cc(NCC2CC3C=CC2C3)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline?
The InChIKey is JICHOXSSNFEICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N/c15-12-5-13(16)7-14(6-12)17-8-11-4-9-1-2-10(11)3-9/h1-2,5-7,9-11,17H,3-4,8H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline has a molecular weight of 268.19 g/mol, XLogP of 4.62, 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]hept-5-enylmethyl)-3,5-dichloroaniline is sourced from PubChem (CID 43760335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).