2-(bromomethyl)oxirane;N-ethylethanamine

C7H16BrNO — CID 146308315

IUPAC2-(bromomethyl)oxirane;N-ethylethanamine
SMILESBrCC1CO1.CCNCC
InChIInChI=1S/C4H11N.C3H5BrO/c1-3-5-4-2;4-1-3-2-5-3/h5H,3-4H2,1-2H3;3H,1-2H2
InChIKeyUPIKSRJLLBWZBV-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.40
Rot. Bonds3

About 2-(bromomethyl)oxirane;N-ethylethanamine

2-(bromomethyl)oxirane;N-ethylethanamine (PubChem CID 146308315) has the molecular formula C7H16BrNO and a molecular weight of 210.11 g/mol. Its IUPAC name is 2-(bromomethyl)oxirane;N-ethylethanamine.

Molecular Properties

Compound Name2-(bromomethyl)oxirane;N-ethylethanamine
PubChem CID146308315
Molecular FormulaC7H16BrNO
Molecular Weight210.11 g/mol
Exact Mass209.04
IUPAC Name2-(bromomethyl)oxirane;N-ethylethanamine
SMILESBrCC1CO1.CCNCC
InChIInChI=1S/C4H11N.C3H5BrO/c1-3-5-4-2;4-1-3-2-5-3/h5H,3-4H2,1-2H3;3H,1-2H2
InChIKeyUPIKSRJLLBWZBV-UHFFFAOYSA-N
XLogP1.40
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)oxirane;N,N-dimethylmethanamine
CID 87110477
N-ethyl-2-methyl-3-(oxiran-2-yl)propan-1-amine
CID 175013546
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N-(oxetan-2-ylmethyl)ethanamine
CID 89405664
tetrakis(2-ethyloxirane);methane
CID 162010408
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;λ2-plumbane
CID 174566138
N-ethylethanamine;titanium(4+)
CID 21151065
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
N-ethylethanamine;2-propylmorpholine
CID 20504824
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
[5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol
CID 177027949

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)oxirane;N-ethylethanamine?
The IUPAC name of 2-(bromomethyl)oxirane;N-ethylethanamine (CID 146308315) is 2-(bromomethyl)oxirane;N-ethylethanamine.
What is the SMILES notation for 2-(bromomethyl)oxirane;N-ethylethanamine?
The canonical SMILES for 2-(bromomethyl)oxirane;N-ethylethanamine is BrCC1CO1.CCNCC.
What is the InChIKey of 2-(bromomethyl)oxirane;N-ethylethanamine?
The InChIKey is UPIKSRJLLBWZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H5BrO/c1-3-5-4-2;4-1-3-2-5-3/h5H,3-4H2,1-2H3;3H,1-2H2.
What are the key properties of 2-(bromomethyl)oxirane;N-ethylethanamine?
2-(bromomethyl)oxirane;N-ethylethanamine has a molecular weight of 210.11 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)oxirane;N-ethylethanamine is sourced from PubChem (CID 146308315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).