N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine

C21H24FN3O — CID 121417960

IUPACN-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine
SMILESCC(COC(c1ccccc1)c1ccnn1C)NCc1cccc(F)c1
InChIInChI=1S/C21H24FN3O/c1-16(23-14-17-7-6-10-19(22)13-17)15-26-21(18-8-4-3-5-9-18)20-11-12-24-25(20)2/h3-13,16,21,23H,14-15H2,1-2H3
InChIKeyKSMLVDBHQLPFGM-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.84
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine

N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine (PubChem CID 121417960) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine
PubChem CID121417960
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine
SMILESCC(COC(c1ccccc1)c1ccnn1C)NCc1cccc(F)c1
InChIInChI=1S/C21H24FN3O/c1-16(23-14-17-7-6-10-19(22)13-17)15-26-21(18-8-4-3-5-9-18)20-11-12-24-25(20)2/h3-13,16,21,23H,14-15H2,1-2H3
InChIKeyKSMLVDBHQLPFGM-UHFFFAOYSA-N
XLogP3.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 132412
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(E)-2-(benzyloxy)-N-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)ethanamine
CID 659658
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methoxy-2-butanamine
CID 16189801
3-[[4-(2-Methylpyrazol-3-yl)phenyl]-phenylmethoxy]azetidine-1-carbonitrile
CID 156018646
(2S)-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]morpholine
CID 71656801
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)oxepan-3-amine
CID 89728255
Cizolirtine, (+)-
CID 3037765
2-[(4-Fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
CID 45488337
1-(3-Fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
CID 51104368
2-[6-(3-Fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 118740141
N-[(3-fluorophenyl)methyl]-1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
CID 118744919

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine (CID 121417960) is N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine is CC(COC(c1ccccc1)c1ccnn1C)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine?
The InChIKey is KSMLVDBHQLPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-16(23-14-17-7-6-10-19(22)13-17)15-26-21(18-8-4-3-5-9-18)20-11-12-24-25(20)2/h3-13,16,21,23H,14-15H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine?
N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine has a molecular weight of 353.44 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine is sourced from PubChem (CID 121417960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).