2-(bromomethyl)-4-(cyclopentylmethyl)morpholine

C11H20BrNO — CID 81212858

IUPAC2-(bromomethyl)-4-(cyclopentylmethyl)morpholine
SMILESBrCC1CN(CC2CCCC2)CCO1
InChIInChI=1S/C11H20BrNO/c12-7-11-9-13(5-6-14-11)8-10-3-1-2-4-10/h10-11H,1-9H2
InChIKeyHKYFVPMKDLPHAW-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.27
Rot. Bonds3

About 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine

2-(bromomethyl)-4-(cyclopentylmethyl)morpholine (PubChem CID 81212858) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(cyclopentylmethyl)morpholine
PubChem CID81212858
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name2-(bromomethyl)-4-(cyclopentylmethyl)morpholine
SMILESBrCC1CN(CC2CCCC2)CCO1
InChIInChI=1S/C11H20BrNO/c12-7-11-9-13(5-6-14-11)8-10-3-1-2-4-10/h10-11H,1-9H2
InChIKeyHKYFVPMKDLPHAW-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
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

2-(bromomethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine
CID 81212973
2-(bromomethyl)-4-cyclohexylmorpholine
CID 82937177
3-(bromomethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 80680342
2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine
CID 102936836
(5aS,8aR)-4-(cyclopentylmethyl)-2,3,5,5a,6,7,8,8a-octahydropyrrolo[3,4-f][1,4]oxazepine
CID 125201705
2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine
CID 107901151
4-(cyclohexylmethyl)morpholine
CID 641545
(2S)-4-(cyclopropylmethyl)-2-methylmorpholine
CID 126997492
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
CID 114224344
2-[(2-ethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 62614413
[(2S)-4-(oxolan-3-ylmethyl)morpholin-2-yl]methanol
CID 130137885

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine (CID 81212858) is 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine is BrCC1CN(CC2CCCC2)CCO1.
What is the InChIKey of 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine?
The InChIKey is HKYFVPMKDLPHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c12-7-11-9-13(5-6-14-11)8-10-3-1-2-4-10/h10-11H,1-9H2.
What are the key properties of 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine?
2-(bromomethyl)-4-(cyclopentylmethyl)morpholine has a molecular weight of 262.19 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(cyclopentylmethyl)morpholine is sourced from PubChem (CID 81212858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).