6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene

C19H25Cl — CID 63431178

IUPAC6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene
SMILESClC(CC1CC2CCC1C2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H25Cl/c20-19(12-18-10-13-5-6-16(18)9-13)17-8-7-14-3-1-2-4-15(14)11-17/h7-8,11,13,16,18-19H,1-6,9-10,12H2
InChIKeyNJJGDPYEEHUWJY-UHFFFAOYSA-N
MW288.86 g/mol
LogP5.67
Rot. Bonds3

About 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene

6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63431178) has the molecular formula C19H25Cl and a molecular weight of 288.86 g/mol. Its IUPAC name is 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63431178
Molecular FormulaC19H25Cl
Molecular Weight288.86 g/mol
Exact Mass288.16
IUPAC Name6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene
SMILESClC(CC1CC2CCC1C2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H25Cl/c20-19(12-18-10-13-5-6-16(18)9-13)17-8-7-14-3-1-2-4-15(14)11-17/h7-8,11,13,16,18-19H,1-6,9-10,12H2
InChIKeyNJJGDPYEEHUWJY-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.86
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one
CID 63433461
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63682761
2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63428698
6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 103165564
2-[2-chloro-2-(2,4,6-trifluorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 63430426
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 63502032
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
5-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3-bromo-2-methylthiophene
CID 102835554
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4811761
2-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63444504
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine
CID 82215293
2-[2-chloro-2-(2,6-difluoro-4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63427554

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene (CID 63431178) is 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene is ClC(CC1CC2CCC1C2)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NJJGDPYEEHUWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl/c20-19(12-18-10-13-5-6-16(18)9-13)17-8-7-14-3-1-2-4-15(14)11-17/h7-8,11,13,16,18-19H,1-6,9-10,12H2.
What are the key properties of 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene?
6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 288.86 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63431178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).