N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine

C9H20BrNO — CID 80670199

IUPACN-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine
SMILESCCOCCN(CCBr)C(C)C
InChIInChI=1S/C9H20BrNO/c1-4-12-8-7-11(6-5-10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyBSWZNZLWQQFTKT-UHFFFAOYSA-N
MW238.17 g/mol
LogP2.13
Rot. Bonds7

About N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine

N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine (PubChem CID 80670199) has the molecular formula C9H20BrNO and a molecular weight of 238.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine
PubChem CID80670199
Molecular FormulaC9H20BrNO
Molecular Weight238.17 g/mol
Exact Mass237.07
IUPAC NameN-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine
SMILESCCOCCN(CCBr)C(C)C
InChIInChI=1S/C9H20BrNO/c1-4-12-8-7-11(6-5-10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyBSWZNZLWQQFTKT-UHFFFAOYSA-N
XLogP2.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 52.13
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-(2-methylpropoxy)ethyl]propan-2-amine
CID 106457728
N'-(2-ethoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43457099
N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 130537232
N-(2-ethoxyethyl)-N-propan-2-ylpropan-2-amine
CID 575118
N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
CID 106457771
2-N,2-N-bis(2-ethoxyethyl)pentane-2,3-diamine
CID 82965078
N-(2-ethoxyethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79713909
2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 82952256
3-N-(2-ethoxyethyl)-3-N-ethylbutane-1,3-diamine
CID 63698411
N-(2-bromoethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 80667760
1-N-tert-butyl-2-N,2-N-bis(2-ethoxyethyl)propane-1,2-diamine
CID 82953132
ethyl 3-[bis(2-ethoxyethyl)amino]butanoate
CID 82951064

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine (CID 80670199) is N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine is CCOCCN(CCBr)C(C)C.
What is the InChIKey of N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine?
The InChIKey is BSWZNZLWQQFTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO/c1-4-12-8-7-11(6-5-10)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine?
N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine has a molecular weight of 238.17 g/mol, XLogP of 2.13, 7 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-ethoxyethyl)propan-2-amine is sourced from PubChem (CID 80670199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).