2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine

C11H18BrN3O — CID 81213787

IUPAC2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine
SMILESBrCC1CN(CCCn2ccnc2)CCO1
InChIInChI=1S/C11H18BrN3O/c12-8-11-9-14(6-7-16-11)3-1-4-15-5-2-13-10-15/h2,5,10-11H,1,3-4,6-9H2
InChIKeyNRSGNZRRWCORGD-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.37
Rot. Bonds5

About 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine

2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine (PubChem CID 81213787) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine
PubChem CID81213787
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine
SMILESBrCC1CN(CCCn2ccnc2)CCO1
InChIInChI=1S/C11H18BrN3O/c12-8-11-9-14(6-7-16-11)3-1-4-15-5-2-13-10-15/h2,5,10-11H,1,3-4,6-9H2
InChIKeyNRSGNZRRWCORGD-UHFFFAOYSA-N
XLogP1.37
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid
CID 66434098
2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 56880923
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
CID 102960102
1-[3-[3-(2-chloroethyl)pyrrolidin-1-yl]propyl]imidazole
CID 114800577
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
CID 103413126
1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
CID 75483244
(3aR,5R,6R,7aS)-2-(3-imidazol-1-ylpropyl)-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172655812

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine (CID 81213787) is 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine is BrCC1CN(CCCn2ccnc2)CCO1.
What is the InChIKey of 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine?
The InChIKey is NRSGNZRRWCORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c12-8-11-9-14(6-7-16-11)3-1-4-15-5-2-13-10-15/h2,5,10-11H,1,3-4,6-9H2.
What are the key properties of 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine?
2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine has a molecular weight of 288.19 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine is sourced from PubChem (CID 81213787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).