1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone

C15H20BrNO2 — CID 102632948

IUPAC1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
SMILESCN(CC(=O)c1cccc(Br)c1)C1CCCCC1O
InChIInChI=1S/C15H20BrNO2/c1-17(13-7-2-3-8-14(13)18)10-15(19)11-5-4-6-12(16)9-11/h4-6,9,13-14,18H,2-3,7-8,10H2,1H3
InChIKeyMXVYFWASUPAUIG-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.87
Rot. Bonds4

About 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone

1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone (PubChem CID 102632948) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
PubChem CID102632948
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
SMILESCN(CC(=O)c1cccc(Br)c1)C1CCCCC1O
InChIInChI=1S/C15H20BrNO2/c1-17(13-7-2-3-8-14(13)18)10-15(19)11-5-4-6-12(16)9-11/h4-6,9,13-14,18H,2-3,7-8,10H2,1H3
InChIKeyMXVYFWASUPAUIG-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227315
1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 62031890
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815
1-(3-bromothiophen-2-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632869
1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 55256902
1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319803
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
[2-(3-bromophenyl)-2-oxoethyl] cyclopentanecarboxylate
CID 23939872
1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
CID 54999992
1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
CID 62862239

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone (CID 102632948) is 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone is CN(CC(=O)c1cccc(Br)c1)C1CCCCC1O.
What is the InChIKey of 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone?
The InChIKey is MXVYFWASUPAUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-17(13-7-2-3-8-14(13)18)10-15(19)11-5-4-6-12(16)9-11/h4-6,9,13-14,18H,2-3,7-8,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone?
1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone has a molecular weight of 326.23 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone is sourced from PubChem (CID 102632948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).