2-[2-(bromomethyl)butyl-propylamino]ethanol

C10H22BrNO — CID 65000871

IUPAC2-[2-(bromomethyl)butyl-propylamino]ethanol
SMILESCCCN(CCO)CC(CC)CBr
InChIInChI=1S/C10H22BrNO/c1-3-5-12(6-7-13)9-10(4-2)8-11/h10,13H,3-9H2,1-2H3
InChIKeyLLQBRORAUMZLNO-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.11
Rot. Bonds8

About 2-[2-(bromomethyl)butyl-propylamino]ethanol

2-[2-(bromomethyl)butyl-propylamino]ethanol (PubChem CID 65000871) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[2-(bromomethyl)butyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[2-(bromomethyl)butyl-propylamino]ethanol
PubChem CID65000871
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Name2-[2-(bromomethyl)butyl-propylamino]ethanol
SMILESCCCN(CCO)CC(CC)CBr
InChIInChI=1S/C10H22BrNO/c1-3-5-12(6-7-13)9-10(4-2)8-11/h10,13H,3-9H2,1-2H3
InChIKeyLLQBRORAUMZLNO-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethyl-N,N-dipropylbutan-1-amine
CID 145001247
2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
CID 143083923
2-[(3-amino-2-ethoxypropyl)-propylamino]ethanol
CID 63070050
5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol
CID 107203593
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 63899795
N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65010680
3-(bromomethyl)pentan-1-ol
CID 87203201
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
1-[2-hydroxyethyl(octyl)amino]butan-2-ol
CID 23423733

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)butyl-propylamino]ethanol?
The IUPAC name of 2-[2-(bromomethyl)butyl-propylamino]ethanol (CID 65000871) is 2-[2-(bromomethyl)butyl-propylamino]ethanol.
What is the SMILES notation for 2-[2-(bromomethyl)butyl-propylamino]ethanol?
The canonical SMILES for 2-[2-(bromomethyl)butyl-propylamino]ethanol is CCCN(CCO)CC(CC)CBr.
What is the InChIKey of 2-[2-(bromomethyl)butyl-propylamino]ethanol?
The InChIKey is LLQBRORAUMZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO/c1-3-5-12(6-7-13)9-10(4-2)8-11/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-[2-(bromomethyl)butyl-propylamino]ethanol?
2-[2-(bromomethyl)butyl-propylamino]ethanol has a molecular weight of 252.20 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)butyl-propylamino]ethanol is sourced from PubChem (CID 65000871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).