[1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol

C12H15BrFNO — CID 115929622

IUPAC[1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol
SMILESCC(NC1(CO)CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO/c1-8(15-12(7-16)4-5-12)9-2-3-10(13)11(14)6-9/h2-3,6,8,15-16H,4-5,7H2,1H3
InChIKeySILYGMARYKPUGF-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.76
Rot. Bonds4

About [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol

[1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol (PubChem CID 115929622) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol
PubChem CID115929622
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name[1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol
SMILESCC(NC1(CO)CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO/c1-8(15-12(7-16)4-5-12)9-2-3-10(13)11(14)6-9/h2-3,6,8,15-16H,4-5,7H2,1H3
InChIKeySILYGMARYKPUGF-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol
CID 115976164
[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol
CID 91660867
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol
CID 115927993
N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891030
N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine
CID 115733485
2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 115733479
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158640

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol?
The IUPAC name of [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol (CID 115929622) is [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol is CC(NC1(CO)CC1)c1ccc(Br)c(F)c1.
What is the InChIKey of [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol?
The InChIKey is SILYGMARYKPUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-8(15-12(7-16)4-5-12)9-2-3-10(13)11(14)6-9/h2-3,6,8,15-16H,4-5,7H2,1H3.
What are the key properties of [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol?
[1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol has a molecular weight of 288.16 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol is sourced from PubChem (CID 115929622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).