3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine

C10H21BrN2O — CID 114293488

IUPAC3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCN1CCOC(CNCCCBr)C1
InChIInChI=1S/C10H21BrN2O/c1-2-13-6-7-14-10(9-13)8-12-5-3-4-11/h10,12H,2-9H2,1H3
InChIKeyKDFRZADUQJSZIF-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.08
Rot. Bonds6

About 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine

3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 114293488) has the molecular formula C10H21BrN2O and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID114293488
Molecular FormulaC10H21BrN2O
Molecular Weight265.19 g/mol
Exact Mass264.08
IUPAC Name3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCN1CCOC(CNCCCBr)C1
InChIInChI=1S/C10H21BrN2O/c1-2-13-6-7-14-10(9-13)8-12-5-3-4-11/h10,12H,2-9H2,1H3
InChIKeyKDFRZADUQJSZIF-UHFFFAOYSA-N
XLogP1.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
CID 114399789
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[(4-ethylmorpholin-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 115626301
N-cyclopropyl-4-[(4-ethylmorpholin-2-yl)methylamino]butanamide
CID 79393887
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106128851

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine (CID 114293488) is 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine is CCN1CCOC(CNCCCBr)C1.
What is the InChIKey of 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is KDFRZADUQJSZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O/c1-2-13-6-7-14-10(9-13)8-12-5-3-4-11/h10,12H,2-9H2,1H3.
What are the key properties of 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine?
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 265.19 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114293488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).