N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine

C16H22FN3O — CID 107688455

IUPACN-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCn2ccnc2)c(F)c1
InChIInChI=1S/C16H22FN3O/c1-16(2,3)19-11-13-4-5-15(14(17)10-13)21-9-8-20-7-6-18-12-20/h4-7,10,12,19H,8-9,11H2,1-3H3
InChIKeyFDABHIPCTMLDMM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.99
Rot. Bonds6

About N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107688455) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107688455
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCn2ccnc2)c(F)c1
InChIInChI=1S/C16H22FN3O/c1-16(2,3)19-11-13-4-5-15(14(17)10-13)21-9-8-20-7-6-18-12-20/h4-7,10,12,19H,8-9,11H2,1-3H3
InChIKeyFDABHIPCTMLDMM-UHFFFAOYSA-N
XLogP2.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688368
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107688351
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
N-[[3-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688660
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
3-fluoro-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 107689821
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 107686809

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 107688455) is N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OCCn2ccnc2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FDABHIPCTMLDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-16(2,3)19-11-13-4-5-15(14(17)10-13)21-9-8-20-7-6-18-12-20/h4-7,10,12,19H,8-9,11H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107688455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).