N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine

C19H26FN3O — CID 138000976

IUPACN-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine
SMILESCC(C)n1cncc1CN(Cc1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C19H26FN3O/c1-15(2)23-14-21-11-19(23)13-22(18-7-9-24-10-8-18)12-16-3-5-17(20)6-4-16/h3-6,11,14-15,18H,7-10,12-13H2,1-2H3
InChIKeyWCXOONHWOUPDSB-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.78
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine

N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine (PubChem CID 138000976) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine
PubChem CID138000976
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine
SMILESCC(C)n1cncc1CN(Cc1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C19H26FN3O/c1-15(2)23-14-21-11-19(23)13-22(18-7-9-24-10-8-18)12-16-3-5-17(20)6-4-16/h3-6,11,14-15,18H,7-10,12-13H2,1-2H3
InChIKeyWCXOONHWOUPDSB-UHFFFAOYSA-N
XLogP3.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine (CID 138000976) is N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine is CC(C)n1cncc1CN(Cc1ccc(F)cc1)C1CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine?
The InChIKey is WCXOONHWOUPDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-15(2)23-14-21-11-19(23)13-22(18-7-9-24-10-8-18)12-16-3-5-17(20)6-4-16/h3-6,11,14-15,18H,7-10,12-13H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine?
N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine has a molecular weight of 331.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 138000976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).