2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine

C12H26BrNO — CID 65003436

IUPAC2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine
SMILESCCN(CCOC)CC(CC)(CC)CBr
InChIInChI=1S/C12H26BrNO/c1-5-12(6-2,10-13)11-14(7-3)8-9-15-4/h5-11H2,1-4H3
InChIKeyLSIKYDHIMRKWHJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.16
Rot. Bonds9

About 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine

2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine (PubChem CID 65003436) has the molecular formula C12H26BrNO and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine
PubChem CID65003436
Molecular FormulaC12H26BrNO
Molecular Weight280.25 g/mol
Exact Mass279.12
IUPAC Name2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine
SMILESCCN(CCOC)CC(CC)(CC)CBr
InChIInChI=1S/C12H26BrNO/c1-5-12(6-2,10-13)11-14(7-3)8-9-15-4/h5-11H2,1-4H3
InChIKeyLSIKYDHIMRKWHJ-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.16
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)-N-butyl-N,2-diethylbutan-1-amine
CID 64998595
2-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylbutanoic acid
CID 62271797
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
CID 65004000
N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine
CID 62259971
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
3-[[2-(bromomethyl)-2-ethylbutyl]-ethylamino]-2-methylpropanenitrile
CID 65003883
bis(trifluoromethylsulfonyl)azanide;N-ethyl-2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine
CID 157108793
N-ethyl-N-(2-methoxyethyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 80551240
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine (CID 65003436) is 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine is CCN(CCOC)CC(CC)(CC)CBr.
What is the InChIKey of 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is LSIKYDHIMRKWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BrNO/c1-5-12(6-2,10-13)11-14(7-3)8-9-15-4/h5-11H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine?
2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 280.25 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 65003436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).