3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene

C17H19BrS — CID 66049211

IUPAC3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
SMILESBrCC1(CCc2ccsc2)CCCc2ccccc21
InChIInChI=1S/C17H19BrS/c18-13-17(10-7-14-8-11-19-12-14)9-3-5-15-4-1-2-6-16(15)17/h1-2,4,6,8,11-12H,3,5,7,9-10,13H2
InChIKeyUNONGPBDLGVYKL-UHFFFAOYSA-N
MW335.31 g/mol
LogP5.35
Rot. Bonds4

About 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene

3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene (PubChem CID 66049211) has the molecular formula C17H19BrS and a molecular weight of 335.31 g/mol. Its IUPAC name is 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene.

Molecular Properties

Compound Name3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
PubChem CID66049211
Molecular FormulaC17H19BrS
Molecular Weight335.31 g/mol
Exact Mass334.04
IUPAC Name3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
SMILESBrCC1(CCc2ccsc2)CCCc2ccccc21
InChIInChI=1S/C17H19BrS/c18-13-17(10-7-14-8-11-19-12-14)9-3-5-15-4-1-2-6-16(15)17/h1-2,4,6,8,11-12H,3,5,7,9-10,13H2
InChIKeyUNONGPBDLGVYKL-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.31
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene 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

3-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66033638
N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
CID 63501949
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
3-bromo-2-[[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]thiophene
CID 66049420
2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66036104
4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66049410
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
4-[(3-bromo-4-fluorophenyl)methyl]-4-(bromomethyl)-2,3-dihydro-1H-naphthalene
CID 66048537
2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 65409400
[2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine
CID 65407126
4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 107310805
1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 65408435

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene?
The IUPAC name of 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene (CID 66049211) is 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene.
What is the SMILES notation for 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene?
The canonical SMILES for 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene is BrCC1(CCc2ccsc2)CCCc2ccccc21.
What is the InChIKey of 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene?
The InChIKey is UNONGPBDLGVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrS/c18-13-17(10-7-14-8-11-19-12-14)9-3-5-15-4-1-2-6-16(15)17/h1-2,4,6,8,11-12H,3,5,7,9-10,13H2.
What are the key properties of 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene?
3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene has a molecular weight of 335.31 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene is sourced from PubChem (CID 66049211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).