5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene

C14H19BrO — CID 83068659

IUPAC5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Br)CC2CC2)cc1C
InChIInChI=1S/C14H19BrO/c1-9-6-12(7-10(2)14(9)16-3)13(15)8-11-4-5-11/h6-7,11,13H,4-5,8H2,1-3H3
InChIKeyHRTYFLMDZHPZAF-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.55
Rot. Bonds4

About 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene

5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene (PubChem CID 83068659) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene
PubChem CID83068659
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Br)CC2CC2)cc1C
InChIInChI=1S/C14H19BrO/c1-9-6-12(7-10(2)14(9)16-3)13(15)8-11-4-5-11/h6-7,11,13H,4-5,8H2,1-3H3
InChIKeyHRTYFLMDZHPZAF-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene 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

5-[bromo(cyclopropyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068810
1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene
CID 103166023
5-(1-bromobutyl)-2-methoxy-1,3-dimethylbenzene
CID 83067846
3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116937420
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
1-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057729
(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]oxolane
CID 83068660
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 83154112
4-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methyloxolane
CID 114827053
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene?
The IUPAC name of 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene (CID 83068659) is 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene is COc1c(C)cc(C(Br)CC2CC2)cc1C.
What is the InChIKey of 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene?
The InChIKey is HRTYFLMDZHPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-9-6-12(7-10(2)14(9)16-3)13(15)8-11-4-5-11/h6-7,11,13H,4-5,8H2,1-3H3.
What are the key properties of 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene?
5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene has a molecular weight of 283.21 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 83068659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).