N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine

C16H21F2N3 — CID 43749470

IUPACN-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(Cn1ccnc1)NCc1ccc(F)cc1F
InChIInChI=1S/C16H21F2N3/c1-16(2,3)15(10-21-7-6-19-11-21)20-9-12-4-5-13(17)8-14(12)18/h4-8,11,15,20H,9-10H2,1-3H3
InChIKeyTULREZZPCDQTGK-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.37
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine

N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine (PubChem CID 43749470) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
PubChem CID43749470
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(Cn1ccnc1)NCc1ccc(F)cc1F
InChIInChI=1S/C16H21F2N3/c1-16(2,3)15(10-21-7-6-19-11-21)20-9-12-4-5-13(17)8-14(12)18/h4-8,11,15,20H,9-10H2,1-3H3
InChIKeyTULREZZPCDQTGK-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 115556703
N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749540
1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43749571
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468
N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 131895500
N-[(2,6-difluoro-3-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine;formic acid
CID 154912364
1-chloro-N-[(2,4-difluorophenyl)methyl]-4,4-dimethylpentan-3-amine
CID 106354143
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
3-fluoro-4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 61482521
1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230
1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine
CID 131951878

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine (CID 43749470) is N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine is CC(C)(C)C(Cn1ccnc1)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The InChIKey is TULREZZPCDQTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-16(2,3)15(10-21-7-6-19-11-21)20-9-12-4-5-13(17)8-14(12)18/h4-8,11,15,20H,9-10H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine has a molecular weight of 293.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 43749470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).