1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene

C17H19Br — CID 64907962

IUPAC1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene
SMILESCC1C(Br)CCC1Cc1cccc2ccccc12
InChIInChI=1S/C17H19Br/c1-12-14(9-10-17(12)18)11-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,12,14,17H,9-11H2,1H3
InChIKeyKIVHQXKPECQPEV-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.19
Rot. Bonds2

About 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene

1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene (PubChem CID 64907962) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene
PubChem CID64907962
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene
SMILESCC1C(Br)CCC1Cc1cccc2ccccc12
InChIInChI=1S/C17H19Br/c1-12-14(9-10-17(12)18)11-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,12,14,17H,9-11H2,1H3
InChIKeyKIVHQXKPECQPEV-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.24
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene 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

1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene
CID 64909251
(3-bromo-2-methylcyclopentyl)methylbenzene
CID 64907307
1-[(2-methylcyclohexyl)methyl]naphthalene
CID 91507555
2-[(3-bromo-2-methylcyclopentyl)methyl]-1-chloro-3-fluorobenzene
CID 64909046
1-ethylnaphthalene;methylcyclopropane
CID 142069670
1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene
CID 63461697
3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
CID 64907505
2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 64908394
2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637268
4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63407888
N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine
CID 83196512
1-(3-bromo-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 102962438

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene?
The IUPAC name of 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene (CID 64907962) is 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene.
What is the SMILES notation for 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene?
The canonical SMILES for 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene is CC1C(Br)CCC1Cc1cccc2ccccc12.
What is the InChIKey of 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene?
The InChIKey is KIVHQXKPECQPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c1-12-14(9-10-17(12)18)11-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,12,14,17H,9-11H2,1H3.
What are the key properties of 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene?
1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene has a molecular weight of 303.24 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene is sourced from PubChem (CID 64907962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).