1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol

C14H17F2N3O — CID 103787996

IUPAC1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H17F2N3O/c1-10(18-8-13(20)14(15)16)11-2-4-12(5-3-11)19-7-6-17-9-19/h2-7,9-10,13-14,18,20H,8H2,1H3
InChIKeyONPPZHFPDMOGLW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.15
Rot. Bonds6

About 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol

1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol (PubChem CID 103787996) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol
PubChem CID103787996
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H17F2N3O/c1-10(18-8-13(20)14(15)16)11-2-4-12(5-3-11)19-7-6-17-9-19/h2-7,9-10,13-14,18,20H,8H2,1H3
InChIKeyONPPZHFPDMOGLW-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol
CID 103779743
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
(2S)-1,1,1-trifluoro-3-[[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]amino]propan-2-ol
CID 99858446
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol (CID 103787996) is 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol is CC(NCC(O)C(F)F)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol?
The InChIKey is ONPPZHFPDMOGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-10(18-8-13(20)14(15)16)11-2-4-12(5-3-11)19-7-6-17-9-19/h2-7,9-10,13-14,18,20H,8H2,1H3.
What are the key properties of 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol?
1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol has a molecular weight of 281.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 103787996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).