1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol

C13H18BrNO — CID 110885623

IUPAC1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
SMILESCCN(CC(O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H18BrNO/c1-2-15(12-6-7-12)9-13(16)10-4-3-5-11(14)8-10/h3-5,8,12-13,16H,2,6-7,9H2,1H3
InChIKeyCLQIWUQTSVETEF-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol

1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol (PubChem CID 110885623) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
PubChem CID110885623
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
SMILESCCN(CC(O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H18BrNO/c1-2-15(12-6-7-12)9-13(16)10-4-3-5-11(14)8-10/h3-5,8,12-13,16H,2,6-7,9H2,1H3
InChIKeyCLQIWUQTSVETEF-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
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3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol (CID 110885623) is 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol is CCN(CC(O)c1cccc(Br)c1)C1CC1.
What is the InChIKey of 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol?
The InChIKey is CLQIWUQTSVETEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-2-15(12-6-7-12)9-13(16)10-4-3-5-11(14)8-10/h3-5,8,12-13,16H,2,6-7,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol?
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol has a molecular weight of 284.20 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol is sourced from PubChem (CID 110885623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).