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

C13H26BrNO — CID 65002178

IUPAC2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1(CBr)CCCCC1
InChIInChI=1S/C13H26BrNO/c1-12(2)15(8-9-16)11-13(10-14)6-4-3-5-7-13/h12,16H,3-11H2,1-2H3
InChIKeyUUXFRDKYQNBDNZ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.03
Rot. Bonds6

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

2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol (PubChem CID 65002178) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol
PubChem CID65002178
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1(CBr)CCCCC1
InChIInChI=1S/C13H26BrNO/c1-12(2)15(8-9-16)11-13(10-14)6-4-3-5-7-13/h12,16H,3-11H2,1-2H3
InChIKeyUUXFRDKYQNBDNZ-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol (CID 65002178) is 2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CC1(CBr)CCCCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol?
The InChIKey is UUXFRDKYQNBDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-12(2)15(8-9-16)11-13(10-14)6-4-3-5-7-13/h12,16H,3-11H2,1-2H3.
What are the key properties of 2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol?
2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol has a molecular weight of 292.26 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 65002178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).