1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene

C16H17Br — CID 81432823

IUPAC1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Br)CC1CC1
InChIInChI=1S/C16H17Br/c1-11-6-9-13-4-2-3-5-14(13)16(11)15(17)10-12-7-8-12/h2-6,9,12,15H,7-8,10H2,1H3
InChIKeyBDBPZKMFXJYVPN-UHFFFAOYSA-N
MW289.22 g/mol
LogP5.38
Rot. Bonds3

About 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene

1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene (PubChem CID 81432823) has the molecular formula C16H17Br and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene
PubChem CID81432823
Molecular FormulaC16H17Br
Molecular Weight289.22 g/mol
Exact Mass288.05
IUPAC Name1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Br)CC1CC1
InChIInChI=1S/C16H17Br/c1-11-6-9-13-4-2-3-5-14(13)16(11)15(17)10-12-7-8-12/h2-6,9,12,15H,7-8,10H2,1H3
InChIKeyBDBPZKMFXJYVPN-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.22
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene 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-[bromo(cyclohexyl)methyl]-2-methylnaphthalene
CID 81432915
2-cyclopentyl-N-ethyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429431
2-cyclohexyl-N-methyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429025
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene
CID 81430334
2-[bromo-(2-methylnaphthalen-1-yl)methyl]oxane
CID 81431949
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-(1-bromo-2-methylbutyl)-2-methylnaphthalene
CID 81431739
(1R)-2-cyclopropyl-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171212937
3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
CID 81430295
1-[1-bromo-3-(2,2,2-trifluoroethoxy)propyl]-2-methylnaphthalene
CID 103211310
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
CID 81432516
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene?
The IUPAC name of 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene (CID 81432823) is 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene.
What is the SMILES notation for 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene?
The canonical SMILES for 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene is Cc1ccc2ccccc2c1C(Br)CC1CC1.
What is the InChIKey of 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene?
The InChIKey is BDBPZKMFXJYVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br/c1-11-6-9-13-4-2-3-5-14(13)16(11)15(17)10-12-7-8-12/h2-6,9,12,15H,7-8,10H2,1H3.
What are the key properties of 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene?
1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene has a molecular weight of 289.22 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene is sourced from PubChem (CID 81432823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).