2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol

C13H19BrFNO — CID 106507545

IUPAC2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CN)(CO)Cc1cccc(F)c1Br
InChIInChI=1S/C13H19BrFNO/c1-9(2)13(7-16,8-17)6-10-4-3-5-11(15)12(10)14/h3-5,9,17H,6-8,16H2,1-2H3
InChIKeyFNBDFNISJZWJNO-UHFFFAOYSA-N
MW304.20 g/mol
LogP2.72
Rot. Bonds5

About 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol

2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol (PubChem CID 106507545) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol
PubChem CID106507545
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CN)(CO)Cc1cccc(F)c1Br
InChIInChI=1S/C13H19BrFNO/c1-9(2)13(7-16,8-17)6-10-4-3-5-11(15)12(10)14/h3-5,9,17H,6-8,16H2,1-2H3
InChIKeyFNBDFNISJZWJNO-UHFFFAOYSA-N
XLogP2.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149290
2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine
CID 112567783
(2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol
CID 164664102
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol
CID 106507624
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
3-amino-1-(2-bromo-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 116611544
1-(2-bromo-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115789993
N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
CID 104877025
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 114166996
N-[(2-bromo-3-fluorophenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104828121
1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114833945
1-(2-bromo-3-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656402

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol (CID 106507545) is 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol is CC(C)C(CN)(CO)Cc1cccc(F)c1Br.
What is the InChIKey of 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is FNBDFNISJZWJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-9(2)13(7-16,8-17)6-10-4-3-5-11(15)12(10)14/h3-5,9,17H,6-8,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol?
2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 304.20 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 106507545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).