N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine

C15H19F2N3 — CID 166268986

IUPACN-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccccc1C(C)(F)F
InChIInChI=1S/C15H19F2N3/c1-12(10-20-8-7-18-11-20)19-9-13-5-3-4-6-14(13)15(2,16)17/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyHURABMAJFNXLCB-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.17
Rot. Bonds6

About N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine

N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 166268986) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID166268986
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccccc1C(C)(F)F
InChIInChI=1S/C15H19F2N3/c1-12(10-20-8-7-18-11-20)19-9-13-5-3-4-6-14(13)15(2,16)17/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyHURABMAJFNXLCB-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-yl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595640
2-fluoro-3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 107114493
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468
4-fluoro-3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzoic acid
CID 107452763
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
1-imidazol-1-yl-N-(quinoxalin-2-ylmethyl)propan-2-amine
CID 43791950

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine (CID 166268986) is N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NCc1ccccc1C(C)(F)F.
What is the InChIKey of N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is HURABMAJFNXLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-12(10-20-8-7-18-11-20)19-9-13-5-3-4-6-14(13)15(2,16)17/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine?
N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 166268986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).