1-(2-bromo-3-cycloheptylpropyl)naphthalene

C20H25Br — CID 114458974

IUPAC1-(2-bromo-3-cycloheptylpropyl)naphthalene
SMILESBrC(Cc1cccc2ccccc12)CC1CCCCCC1
InChIInChI=1S/C20H25Br/c21-19(14-16-8-3-1-2-4-9-16)15-18-12-7-11-17-10-5-6-13-20(17)18/h5-7,10-13,16,19H,1-4,8-9,14-15H2
InChIKeyNQULQNACDMIQBE-UHFFFAOYSA-N
MW345.32 g/mol
LogP6.51
Rot. Bonds4

About 1-(2-bromo-3-cycloheptylpropyl)naphthalene

1-(2-bromo-3-cycloheptylpropyl)naphthalene (PubChem CID 114458974) has the molecular formula C20H25Br and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-(2-bromo-3-cycloheptylpropyl)naphthalene.

Molecular Properties

Compound Name1-(2-bromo-3-cycloheptylpropyl)naphthalene
PubChem CID114458974
Molecular FormulaC20H25Br
Molecular Weight345.32 g/mol
Exact Mass344.11
IUPAC Name1-(2-bromo-3-cycloheptylpropyl)naphthalene
SMILESBrC(Cc1cccc2ccccc12)CC1CCCCCC1
InChIInChI=1S/C20H25Br/c21-19(14-16-8-3-1-2-4-9-16)15-18-12-7-11-17-10-5-6-13-20(17)18/h5-7,10-13,16,19H,1-4,8-9,14-15H2
InChIKeyNQULQNACDMIQBE-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 56.51
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

(1-cyclohexyl-2-naphthalen-1-ylethyl)hydrazine
CID 105201891
1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene
CID 103166558
1-(3-chloro-2-cyclopentylpropyl)naphthalene
CID 112570471
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
9-(cyclohexylmethyl)anthracene
CID 173272896
9-(cycloheptylmethyl)anthracene
CID 173272889
1-(cyclononylmethyl)anthracene
CID 173272600
1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63544491
1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
CID 63530757
[2-bromo-3-(3-methoxyphenyl)propyl]cycloheptane
CID 114458981
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-cycloheptylpropyl)naphthalene?
The IUPAC name of 1-(2-bromo-3-cycloheptylpropyl)naphthalene (CID 114458974) is 1-(2-bromo-3-cycloheptylpropyl)naphthalene.
What is the SMILES notation for 1-(2-bromo-3-cycloheptylpropyl)naphthalene?
The canonical SMILES for 1-(2-bromo-3-cycloheptylpropyl)naphthalene is BrC(Cc1cccc2ccccc12)CC1CCCCCC1.
What is the InChIKey of 1-(2-bromo-3-cycloheptylpropyl)naphthalene?
The InChIKey is NQULQNACDMIQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Br/c21-19(14-16-8-3-1-2-4-9-16)15-18-12-7-11-17-10-5-6-13-20(17)18/h5-7,10-13,16,19H,1-4,8-9,14-15H2.
What are the key properties of 1-(2-bromo-3-cycloheptylpropyl)naphthalene?
1-(2-bromo-3-cycloheptylpropyl)naphthalene has a molecular weight of 345.32 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-cycloheptylpropyl)naphthalene is sourced from PubChem (CID 114458974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).