2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol

C11H14BrF2NO — CID 106272229

IUPAC2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)(CO)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-11(5-15,6-16)4-7-9(13)3-2-8(12)10(7)14/h2-3,16H,4-6,15H2,1H3
InChIKeyHJVYMMWMRWVARN-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.23
Rot. Bonds4

About 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol

2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol (PubChem CID 106272229) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
PubChem CID106272229
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)(CO)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-11(5-15,6-16)4-7-9(13)3-2-8(12)10(7)14/h2-3,16H,4-6,15H2,1H3
InChIKeyHJVYMMWMRWVARN-UHFFFAOYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 106271309
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 114166996
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 106273886
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
CID 106273555
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
CID 106273888
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 114166681
2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 106271410
1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 106265824
1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 106265089
1-amino-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272455

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol (CID 106272229) is 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol is CC(CN)(CO)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol?
The InChIKey is HJVYMMWMRWVARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-11(5-15,6-16)4-7-9(13)3-2-8(12)10(7)14/h2-3,16H,4-6,15H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol?
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol has a molecular weight of 294.14 g/mol, XLogP of 2.23, 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-2,6-difluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 106272229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).