[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol

C13H18BrNO2 — CID 113313278

IUPAC[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO2/c14-11-1-3-12(4-2-11)17-8-7-15-9-13(10-16)5-6-13/h1-4,15-16H,5-10H2
InChIKeyOZJORSZHRFMJJI-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.19
Rot. Bonds7

About [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol

[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol (PubChem CID 113313278) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol
PubChem CID113313278
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO2/c14-11-1-3-12(4-2-11)17-8-7-15-9-13(10-16)5-6-13/h1-4,15-16H,5-10H2
InChIKeyOZJORSZHRFMJJI-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine
CID 115455603
3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467
1-(4-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propan-2-ol
CID 115359592
2-[2-(4-bromophenoxy)ethylamino]acetic acid
CID 43466024
N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide
CID 77070663
2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114099923
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246905
N-[2-[4-(4-bromophenyl)phenoxy]ethyl]prop-2-en-1-amine
CID 63516544
3-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethoxy]benzoic acid
CID 103260315
[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
CID 130536844
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol (CID 113313278) is [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol is OCC1(CNCCOc2ccc(Br)cc2)CC1.
What is the InChIKey of [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol?
The InChIKey is OZJORSZHRFMJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-11-1-3-12(4-2-11)17-8-7-15-9-13(10-16)5-6-13/h1-4,15-16H,5-10H2.
What are the key properties of [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol?
[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol has a molecular weight of 300.20 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 113313278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).