N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine

C21H23FN4O — CID 46954463

IUPACN-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
SMILESFc1ccccc1CN(Cc1n[nH]nc1-c1ccccc1)CC1CCCO1
InChIInChI=1S/C21H23FN4O/c22-19-11-5-4-9-17(19)13-26(14-18-10-6-12-27-18)15-20-21(24-25-23-20)16-7-2-1-3-8-16/h1-5,7-9,11,18H,6,10,12-15H2,(H,23,24,25)
InChIKeyMWYRZDNDEIJORY-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.79
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine

N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine (PubChem CID 46954463) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
PubChem CID46954463
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
SMILESFc1ccccc1CN(Cc1n[nH]nc1-c1ccccc1)CC1CCCO1
InChIInChI=1S/C21H23FN4O/c22-19-11-5-4-9-17(19)13-26(14-18-10-6-12-27-18)15-20-21(24-25-23-20)16-7-2-1-3-8-16/h1-5,7-9,11,18H,6,10,12-15H2,(H,23,24,25)
InChIKeyMWYRZDNDEIJORY-UHFFFAOYSA-N
XLogP3.79
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 16672025
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975
N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818482
3-[[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 92572737
1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 42567645
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93147017
N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 19120015
(2S)-1-[(2-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 129422627
N-benzyl-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 60565455
N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 112501596
4-N-[(2-fluorophenyl)methyl]-1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189937

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine (CID 46954463) is N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine is Fc1ccccc1CN(Cc1n[nH]nc1-c1ccccc1)CC1CCCO1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The InChIKey is MWYRZDNDEIJORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-19-11-5-4-9-17(19)13-26(14-18-10-6-12-27-18)15-20-21(24-25-23-20)16-7-2-1-3-8-16/h1-5,7-9,11,18H,6,10,12-15H2,(H,23,24,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine has a molecular weight of 366.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine is sourced from PubChem (CID 46954463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).