1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine

C17H23Cl2N — CID 43104674

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
SMILESCC(NC(C)C1CC2CCC1C2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2N/c1-10(15-6-5-14(18)9-17(15)19)20-11(2)16-8-12-3-4-13(16)7-12/h5-6,9-13,16,20H,3-4,7-8H2,1-2H3
InChIKeyNZRJXCGTWCSCMW-UHFFFAOYSA-N
MW312.28 g/mol
LogP5.47
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine (PubChem CID 43104674) has the molecular formula C17H23Cl2N and a molecular weight of 312.28 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
PubChem CID43104674
Molecular FormulaC17H23Cl2N
Molecular Weight312.28 g/mol
Exact Mass311.12
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
SMILESCC(NC(C)C1CC2CCC1C2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2N/c1-10(15-6-5-14(18)9-17(15)19)20-11(2)16-8-12-3-4-13(16)7-12/h5-6,9-13,16,20H,3-4,7-8H2,1-2H3
InChIKeyNZRJXCGTWCSCMW-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.28
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 43111844
4-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]benzene-1,3-diol
CID 43193368
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 43099010
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide
CID 108502946
(2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 98193770
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 98408205
2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-4-chlorophenol
CID 43095886
2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
CID 63426600
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-chlorobenzoic acid
CID 63512018
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 63502583
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine (CID 43104674) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine is CC(NC(C)C1CC2CCC1C2)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine?
The InChIKey is NZRJXCGTWCSCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N/c1-10(15-6-5-14(18)9-17(15)19)20-11(2)16-8-12-3-4-13(16)7-12/h5-6,9-13,16,20H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine has a molecular weight of 312.28 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43104674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).