1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene

C18H25Cl — CID 63772319

IUPAC1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESClC1CCCCCC1CC1CCCc2ccccc21
InChIInChI=1S/C18H25Cl/c19-18-12-3-1-2-8-16(18)13-15-10-6-9-14-7-4-5-11-17(14)15/h4-5,7,11,15-16,18H,1-3,6,8-10,12-13H2
InChIKeyFPNRSYRKIBGPEN-UHFFFAOYSA-N
MW276.85 g/mol
LogP5.68
Rot. Bonds2

About 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene

1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63772319) has the molecular formula C18H25Cl and a molecular weight of 276.85 g/mol. Its IUPAC name is 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63772319
Molecular FormulaC18H25Cl
Molecular Weight276.85 g/mol
Exact Mass276.16
IUPAC Name1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESClC1CCCCCC1CC1CCCc2ccccc21
InChIInChI=1S/C18H25Cl/c19-18-12-3-1-2-8-16(18)13-15-10-6-9-14-7-4-5-11-17(14)15/h4-5,7,11,15-16,18H,1-3,6,8-10,12-13H2
InChIKeyFPNRSYRKIBGPEN-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.85
LogP ≤ 55.68
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

[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 81010954
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 81028858
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637491
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63771818
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
(1R)-1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 129384630

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63772319) is 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene is ClC1CCCCCC1CC1CCCc2ccccc21.
What is the InChIKey of 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FPNRSYRKIBGPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl/c19-18-12-3-1-2-8-16(18)13-15-10-6-9-14-7-4-5-11-17(14)15/h4-5,7,11,15-16,18H,1-3,6,8-10,12-13H2.
What are the key properties of 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene?
1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 276.85 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63772319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).