N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine

C15H19F2N3O — CID 79883268

IUPACN-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(OCCn2ccnc2)c(F)c1
InChIInChI=1S/C15H19F2N3O/c1-11(2)19-9-12-7-13(16)15(14(17)8-12)21-6-5-20-4-3-18-10-20/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3
InChIKeyDFRUMRRJSFWFKV-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.74
Rot. Bonds7

About N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine

N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 79883268) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID79883268
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(OCCn2ccnc2)c(F)c1
InChIInChI=1S/C15H19F2N3O/c1-11(2)19-9-12-7-13(16)15(14(17)8-12)21-6-5-20-4-3-18-10-20/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3
InChIKeyDFRUMRRJSFWFKV-UHFFFAOYSA-N
XLogP2.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
[3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 79887552
N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 60878720
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
CID 79891366
N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688455
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
CID 79892106
N-[[3-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]propan-2-amine
CID 61494565
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
1-[3-chloro-4-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 60878545
N-[[3-fluoro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955450

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine (CID 79883268) is N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)c(OCCn2ccnc2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is DFRUMRRJSFWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-11(2)19-9-12-7-13(16)15(14(17)8-12)21-6-5-20-4-3-18-10-20/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3.
What are the key properties of N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 295.33 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 79883268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).