2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol

C11H15BrFNO — CID 65187910

IUPAC2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-2-7(6-14)11(15)9-5-8(12)3-4-10(9)13/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyUZEJAZYCPVFXID-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.61
Rot. Bonds4

About 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol

2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol (PubChem CID 65187910) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol
PubChem CID65187910
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-2-7(6-14)11(15)9-5-8(12)3-4-10(9)13/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyUZEJAZYCPVFXID-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-alpha-(((1-methylethyl)amino)methyl)benzenemethanol
CID 60903220
2-Amino-1-(2-bromophenyl)ethan-1-ol
CID 12474014
2-Amino-1-(4-bromophenyl)propan-1-ol
CID 19422955
1-(3-Bromophenyl)-2-(methylamino)ethan-1-ol
CID 21943451
3-Amino-1-(4-fluorophenyl)propan-1-ol
CID 17788247
3-Amino-1-(4-bromophenyl)propan-1-ol
CID 56686930
2-Amino-1-(3-bromophenyl)ethan-1-ol hydrochloride
CID 22021066
(1S)-1-(3-Bromo-4-fluorophenyl)ethan-1-ol
CID 25324469
(1R)-1-(3-Bromo-4-fluorophenyl)ethan-1-ol
CID 25324470
(1S)-2-amino-1-(3-bromophenyl)ethan-1-ol hydrochloride
CID 67265924
3-Amino-1-(4-fluorophenyl)butan-1-ol
CID 71756333
(1R)-1-(3-bromo-5-fluorophenyl)ethan-1-ol
CID 79036939

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol (CID 65187910) is 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol is CCC(CN)C(O)c1cc(Br)ccc1F.
What is the InChIKey of 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol?
The InChIKey is UZEJAZYCPVFXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-2-7(6-14)11(15)9-5-8(12)3-4-10(9)13/h3-5,7,11,15H,2,6,14H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol?
2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol has a molecular weight of 276.15 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 65187910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).