2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol

C13H19BrF2N2O — CID 107486461

IUPAC2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNC(CCN(CCO)CC(F)F)c1ccccc1Br
InChIInChI=1S/C13H19BrF2N2O/c14-11-4-2-1-3-10(11)12(17)5-6-18(7-8-19)9-13(15)16/h1-4,12-13,19H,5-9,17H2
InChIKeyJMVHXVWQFYRGCG-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.40
Rot. Bonds8

About 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol

2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486461) has the molecular formula C13H19BrF2N2O and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486461
Molecular FormulaC13H19BrF2N2O
Molecular Weight337.21 g/mol
Exact Mass336.06
IUPAC Name2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNC(CCN(CCO)CC(F)F)c1ccccc1Br
InChIInChI=1S/C13H19BrF2N2O/c14-11-4-2-1-3-10(11)12(17)5-6-18(7-8-19)9-13(15)16/h1-4,12-13,19H,5-9,17H2
InChIKeyJMVHXVWQFYRGCG-UHFFFAOYSA-N
XLogP2.40
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
CID 171217585
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
CID 62642938
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478617
2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486683
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
2-[[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 82778830
4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
CID 62630585
1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62630300
2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol
CID 114059481
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol (CID 107486461) is 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol is NC(CCN(CCO)CC(F)F)c1ccccc1Br.
What is the InChIKey of 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is JMVHXVWQFYRGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrF2N2O/c14-11-4-2-1-3-10(11)12(17)5-6-18(7-8-19)9-13(15)16/h1-4,12-13,19H,5-9,17H2.
What are the key properties of 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 337.21 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).