N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline

C16H20ClNO — CID 43760993

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NC(C)C1CC2C=CC1C2
InChIInChI=1S/C16H20ClNO/c1-10(14-8-11-3-4-12(14)7-11)18-15-9-13(17)5-6-16(15)19-2/h3-6,9-12,14,18H,7-8H2,1-2H3
InChIKeyFJJKGBHGLIGWKA-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.36
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline (PubChem CID 43760993) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline
PubChem CID43760993
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NC(C)C1CC2C=CC1C2
InChIInChI=1S/C16H20ClNO/c1-10(14-8-11-3-4-12(14)7-11)18-15-9-13(17)5-6-16(15)19-2/h3-6,9-12,14,18H,7-8H2,1-2H3
InChIKeyFJJKGBHGLIGWKA-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline
CID 43761121
5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43307747
5-chloro-2-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43100580
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318
2-(5-chloro-2-methoxyanilino)-3-methoxybutanoic acid
CID 112519910
5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
CID 107704980
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
CID 43083885
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518
1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 108875476
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(5-chloro-2-methoxyphenyl)thiourea
CID 19651473

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline (CID 43760993) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline is COc1ccc(Cl)cc1NC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline?
The InChIKey is FJJKGBHGLIGWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-10(14-8-11-3-4-12(14)7-11)18-15-9-13(17)5-6-16(15)19-2/h3-6,9-12,14,18H,7-8H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline has a molecular weight of 277.80 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline is sourced from PubChem (CID 43760993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).