1-bromo-3-[(1-propylcyclopropyl)methyl]benzene

C13H17Br — CID 143267542

IUPAC1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
SMILESCCCC1(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C13H17Br/c1-2-6-13(7-8-13)10-11-4-3-5-12(14)9-11/h3-5,9H,2,6-8,10H2,1H3
InChIKeyLPCQMOWMDMLXLS-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.57
Rot. Bonds4

About 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene

1-bromo-3-[(1-propylcyclopropyl)methyl]benzene (PubChem CID 143267542) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
PubChem CID143267542
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
SMILESCCCC1(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C13H17Br/c1-2-6-13(7-8-13)10-11-4-3-5-12(14)9-11/h3-5,9H,2,6-8,10H2,1H3
InChIKeyLPCQMOWMDMLXLS-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene 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

N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
3-[(3-bromophenyl)methyl]-3-ethylazetidine
CID 79451956
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
N-[[4-[(3-bromophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62907138
1-[(3-bromophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65423354
[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine
CID 67395688
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508
1-bromo-3-[(1-isocyanocyclobutyl)methyl]benzene
CID 176776885
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide
CID 167965461
1-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 60797544

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene?
The IUPAC name of 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene (CID 143267542) is 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene.
What is the SMILES notation for 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene?
The canonical SMILES for 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene is CCCC1(Cc2cccc(Br)c2)CC1.
What is the InChIKey of 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene?
The InChIKey is LPCQMOWMDMLXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-2-6-13(7-8-13)10-11-4-3-5-12(14)9-11/h3-5,9H,2,6-8,10H2,1H3.
What are the key properties of 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene?
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene has a molecular weight of 253.18 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(1-propylcyclopropyl)methyl]benzene is sourced from PubChem (CID 143267542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).