2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol

C12H17F2NO2 — CID 84802854

IUPAC2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol
SMILESCC(N)C(O)c1ccc(OCC(C)(F)F)cc1
InChIInChI=1S/C12H17F2NO2/c1-8(15)11(16)9-3-5-10(6-4-9)17-7-12(2,13)14/h3-6,8,11,16H,7,15H2,1-2H3
InChIKeyBPTJXYYHRLAVEN-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.10
Rot. Bonds5

About 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol

2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol (PubChem CID 84802854) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol
PubChem CID84802854
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol
SMILESCC(N)C(O)c1ccc(OCC(C)(F)F)cc1
InChIInChI=1S/C12H17F2NO2/c1-8(15)11(16)9-3-5-10(6-4-9)17-7-12(2,13)14/h3-6,8,11,16H,7,15H2,1-2H3
InChIKeyBPTJXYYHRLAVEN-UHFFFAOYSA-N
XLogP2.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,2-difluoropropoxy)phenyl]propanenitrile
CID 84789992
(1S,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]propan-1-ol
CID 28743825
2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine
CID 84792720
2,2-difluoropropoxybenzene
CID 10997493
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
3-[4-[(1S)-1-aminoethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900014
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097
1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680323
(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 122579136
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
4-sulfanyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]butane-1,2-diol
CID 171874969

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol (CID 84802854) is 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol is CC(N)C(O)c1ccc(OCC(C)(F)F)cc1.
What is the InChIKey of 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol?
The InChIKey is BPTJXYYHRLAVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-8(15)11(16)9-3-5-10(6-4-9)17-7-12(2,13)14/h3-6,8,11,16H,7,15H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol?
2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 84802854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).