2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol

C10H20BrNO — CID 65013614

IUPAC2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1(CBr)CC1
InChIInChI=1S/C10H20BrNO/c1-9(2)12(5-6-13)8-10(7-11)3-4-10/h9,13H,3-8H2,1-2H3
InChIKeyPXMRUJSPTYWLJK-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.86
Rot. Bonds6

About 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol

2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol (PubChem CID 65013614) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
PubChem CID65013614
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1(CBr)CC1
InChIInChI=1S/C10H20BrNO/c1-9(2)12(5-6-13)8-10(7-11)3-4-10/h9,13H,3-8H2,1-2H3
InChIKeyPXMRUJSPTYWLJK-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.86
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

2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol
CID 65002178
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65013731
3-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]propanenitrile
CID 65013729
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 65002013
2-[[1-(bromomethyl)cyclobutyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 65009843
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol
CID 62392050
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79483320
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
CID 65009190
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65009370
3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62271713
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine
CID 65009626
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-butylbutan-1-amine
CID 65013664

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol (CID 65013614) is 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CC1(CBr)CC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol?
The InChIKey is PXMRUJSPTYWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-9(2)12(5-6-13)8-10(7-11)3-4-10/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol?
2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol has a molecular weight of 250.18 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 65013614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).