N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine

C11H24BrNO — CID 106457728

IUPACN-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
SMILESCC(C)COCCN(CCBr)C(C)C
InChIInChI=1S/C11H24BrNO/c1-10(2)9-14-8-7-13(6-5-12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNAKXYNPKNVQZII-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.76
Rot. Bonds8

About N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine

N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine (PubChem CID 106457728) has the molecular formula C11H24BrNO and a molecular weight of 266.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
PubChem CID106457728
Molecular FormulaC11H24BrNO
Molecular Weight266.22 g/mol
Exact Mass265.10
IUPAC NameN-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
SMILESCC(C)COCCN(CCBr)C(C)C
InChIInChI=1S/C11H24BrNO/c1-10(2)9-14-8-7-13(6-5-12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNAKXYNPKNVQZII-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine
CID 80670199
N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 130537232
N-(2-chloroethyl)-N-[2-(2-methylpropoxy)ethyl]pentan-3-amine
CID 106457638
N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
CID 106457771
N-(2-bromoethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 80667760
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016
N-[2-(2-aminoethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 79478830
N-(2-bromoethyl)-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
CID 115518451
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234
N'-(2-ethoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43457099
1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 106457754

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine (CID 106457728) is N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine is CC(C)COCCN(CCBr)C(C)C.
What is the InChIKey of N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine?
The InChIKey is NAKXYNPKNVQZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO/c1-10(2)9-14-8-7-13(6-5-12)11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine?
N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine has a molecular weight of 266.22 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine is sourced from PubChem (CID 106457728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).