[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol

C12H15BrFNO — CID 91660867

IUPAC[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol
SMILESCC(NC1(CO)CC1)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO/c1-8(15-12(7-16)4-5-12)10-3-2-9(13)6-11(10)14/h2-3,6,8,15-16H,4-5,7H2,1H3
InChIKeyJENDQMHJILJUBS-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.76
Rot. Bonds4

About [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol

[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol (PubChem CID 91660867) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol
PubChem CID91660867
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol
SMILESCC(NC1(CO)CC1)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO/c1-8(15-12(7-16)4-5-12)10-3-2-9(13)6-11(10)14/h2-3,6,8,15-16H,4-5,7H2,1H3
InChIKeyJENDQMHJILJUBS-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

Analyze [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol
CID 115929622
1-(4-bromo-2-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102613018
[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol
CID 115976164
1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83116978
N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine
CID 82964793
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
CID 82963254
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
[(1R,4S)-4-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86804132
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
CID 82964118

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol?
The IUPAC name of [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol (CID 91660867) is [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol is CC(NC1(CO)CC1)c1ccc(Br)cc1F.
What is the InChIKey of [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol?
The InChIKey is JENDQMHJILJUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-8(15-12(7-16)4-5-12)10-3-2-9(13)6-11(10)14/h2-3,6,8,15-16H,4-5,7H2,1H3.
What are the key properties of [1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol?
[1-[1-(4-bromo-2-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-2-fluorophenyl)ethylamino]cyclopropyl]methanol is sourced from PubChem (CID 91660867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).