2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol

C12H17BrFNO — CID 107955051

IUPAC2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cccc(Br)c1F
InChIInChI=1S/C12H17BrFNO/c1-2-4-8(7-15)12(16)9-5-3-6-10(13)11(9)14/h3,5-6,8,12,16H,2,4,7,15H2,1H3
InChIKeyJRBLMZSSRQYKMC-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.00
Rot. Bonds5

About 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol

2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol (PubChem CID 107955051) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol
PubChem CID107955051
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cccc(Br)c1F
InChIInChI=1S/C12H17BrFNO/c1-2-4-8(7-15)12(16)9-5-3-6-10(13)11(9)14/h3,5-6,8,12,16H,2,4,7,15H2,1H3
InChIKeyJRBLMZSSRQYKMC-UHFFFAOYSA-N
XLogP3.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol
CID 107955052
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol
CID 79411718
1-(3-bromo-2-fluorophenyl)butylhydrazine
CID 106648656
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
CID 79412864
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237
(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
CID 130785366
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
1-(3-bromo-2-fluorophenyl)undecan-1-amine
CID 107952817
1-(3-bromo-2-fluorophenyl)-3-chloropropane-1,2-diol
CID 171863326

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol (CID 107955051) is 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol is CCCC(CN)C(O)c1cccc(Br)c1F.
What is the InChIKey of 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol?
The InChIKey is JRBLMZSSRQYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-2-4-8(7-15)12(16)9-5-3-6-10(13)11(9)14/h3,5-6,8,12,16H,2,4,7,15H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol?
2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol has a molecular weight of 290.18 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol is sourced from PubChem (CID 107955051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).