2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol

C13H18BrNO — CID 117457295

IUPAC2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol
SMILESCCc1cc(Br)cc(C2(C(C)N)CC2)c1O
InChIInChI=1S/C13H18BrNO/c1-3-9-6-10(14)7-11(12(9)16)13(4-5-13)8(2)15/h6-8,16H,3-5,15H2,1-2H3
InChIKeyKJMMPPQHKIYXFU-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.10
Rot. Bonds3

About 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol

2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol (PubChem CID 117457295) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol
PubChem CID117457295
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol
SMILESCCc1cc(Br)cc(C2(C(C)N)CC2)c1O
InChIInChI=1S/C13H18BrNO/c1-3-9-6-10(14)7-11(12(9)16)13(4-5-13)8(2)15/h6-8,16H,3-5,15H2,1-2H3
InChIKeyKJMMPPQHKIYXFU-UHFFFAOYSA-N
XLogP3.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-ethyl-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117458815
6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117477283
1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine
CID 117439047
6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
CID 117352069
6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
CID 117392662
2-[1-(1-aminoethyl)cyclopropyl]-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117449103
4-bromo-2,6-diethylbenzamide
CID 68757322
4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene
CID 22568948
1-[1-(2-bromo-4-methylphenyl)cyclopropyl]ethanamine
CID 117388136
methyl 2-(5-bromo-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117466745
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 155598143

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol?
The IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol (CID 117457295) is 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol.
What is the SMILES notation for 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol?
The canonical SMILES for 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol is CCc1cc(Br)cc(C2(C(C)N)CC2)c1O.
What is the InChIKey of 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol?
The InChIKey is KJMMPPQHKIYXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-9-6-10(14)7-11(12(9)16)13(4-5-13)8(2)15/h6-8,16H,3-5,15H2,1-2H3.
What are the key properties of 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol?
2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol has a molecular weight of 284.20 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol is sourced from PubChem (CID 117457295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).