N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine

C12H25BrN2O — CID 80671513

IUPACN-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
SMILESCCN1CCOC(CN(CCBr)C(C)C)C1
InChIInChI=1S/C12H25BrN2O/c1-4-14-7-8-16-12(9-14)10-15(6-5-13)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyPPVALWQOIVRDLE-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.81
Rot. Bonds6

About N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine

N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine (PubChem CID 80671513) has the molecular formula C12H25BrN2O and a molecular weight of 293.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
PubChem CID80671513
Molecular FormulaC12H25BrN2O
Molecular Weight293.25 g/mol
Exact Mass292.12
IUPAC NameN-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
SMILESCCN1CCOC(CN(CCBr)C(C)C)C1
InChIInChI=1S/C12H25BrN2O/c1-4-14-7-8-16-12(9-14)10-15(6-5-13)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyPPVALWQOIVRDLE-UHFFFAOYSA-N
XLogP1.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488358
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 79171078
2,4-diethylmorpholine
CID 58988021
N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79164190
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
CID 115666180
3-[(4-ethylmorpholin-2-yl)methyl-(2-methylpropyl)amino]propanethioamide
CID 79165346
3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile
CID 79164880
N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171654
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylethenamine
CID 169213885
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]-2-methylpropanethioamide
CID 79164440
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine (CID 80671513) is N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine is CCN1CCOC(CN(CCBr)C(C)C)C1.
What is the InChIKey of N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine?
The InChIKey is PPVALWQOIVRDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2O/c1-4-14-7-8-16-12(9-14)10-15(6-5-13)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine?
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine has a molecular weight of 293.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 80671513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).