2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol

C10H13BrFNO — CID 55169760

IUPAC2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol
SMILESNCC(CO)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H13BrFNO/c11-9-4-7(1-2-10(9)12)3-8(5-13)6-14/h1-2,4,8,14H,3,5-6,13H2
InChIKeyISGGGXAZUODMDG-UHFFFAOYSA-N
MW262.12 g/mol
LogP1.70
Rot. Bonds4

About 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol

2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol (PubChem CID 55169760) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol
PubChem CID55169760
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol
SMILESNCC(CO)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H13BrFNO/c11-9-4-7(1-2-10(9)12)3-8(5-13)6-14/h1-2,4,8,14H,3,5-6,13H2
InChIKeyISGGGXAZUODMDG-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol (CID 55169760) is 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol is NCC(CO)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol?
The InChIKey is ISGGGXAZUODMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c11-9-4-7(1-2-10(9)12)3-8(5-13)6-14/h1-2,4,8,14H,3,5-6,13H2.
What are the key properties of 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol has a molecular weight of 262.12 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 55169760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).