2-(bromomethyl)-4-pentan-3-ylmorpholine

C10H20BrNO — CID 81213271

IUPAC2-(bromomethyl)-4-pentan-3-ylmorpholine
SMILESCCC(CC)N1CCOC(CBr)C1
InChIInChI=1S/C10H20BrNO/c1-3-9(4-2)12-5-6-13-10(7-11)8-12/h9-10H,3-8H2,1-2H3
InChIKeyROWSZSZIXKDMEC-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.27
Rot. Bonds4

About 2-(bromomethyl)-4-pentan-3-ylmorpholine

2-(bromomethyl)-4-pentan-3-ylmorpholine (PubChem CID 81213271) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-(bromomethyl)-4-pentan-3-ylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-pentan-3-ylmorpholine
PubChem CID81213271
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-(bromomethyl)-4-pentan-3-ylmorpholine
SMILESCCC(CC)N1CCOC(CBr)C1
InChIInChI=1S/C10H20BrNO/c1-3-9(4-2)12-5-6-13-10(7-11)8-12/h9-10H,3-8H2,1-2H3
InChIKeyROWSZSZIXKDMEC-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62431717
3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
CID 114398825
3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide
CID 81203856
1-(4-pentan-3-ylmorpholin-2-yl)ethanamine
CID 115315016
2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
CID 62949677
1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114876906
4-propan-2-yl-2-propylmorpholine
CID 118118152
4-pentan-3-ylmorpholine
CID 641553
2-(bromomethyl)-4-butylsulfonylmorpholine
CID 81212170
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
2-(bromomethyl)-4-tert-butylsulfonylmorpholine
CID 81212089
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-pentan-3-ylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-pentan-3-ylmorpholine (CID 81213271) is 2-(bromomethyl)-4-pentan-3-ylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-pentan-3-ylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-pentan-3-ylmorpholine is CCC(CC)N1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-pentan-3-ylmorpholine?
The InChIKey is ROWSZSZIXKDMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-3-9(4-2)12-5-6-13-10(7-11)8-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-pentan-3-ylmorpholine?
2-(bromomethyl)-4-pentan-3-ylmorpholine has a molecular weight of 250.18 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-pentan-3-ylmorpholine is sourced from PubChem (CID 81213271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).