N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine

C16H22FN3O — CID 103000028

IUPACN-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)cc(OCCc2ccnn2C)c1
InChIInChI=1S/C16H22FN3O/c1-12(2)18-11-13-8-14(17)10-16(9-13)21-7-5-15-4-6-19-20(15)3/h4,6,8-10,12,18H,5,7,11H2,1-3H3
InChIKeyBRGVBNDVONQTNT-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.68
Rot. Bonds7

About N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine

N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 103000028) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID103000028
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)cc(OCCc2ccnn2C)c1
InChIInChI=1S/C16H22FN3O/c1-12(2)18-11-13-8-14(17)10-16(9-13)21-7-5-15-4-6-19-20(15)3/h4,6,8-10,12,18H,5,7,11H2,1-3H3
InChIKeyBRGVBNDVONQTNT-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine
CID 103013256
N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999859
N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 103178014
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 103014934
(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999823
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
[2-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003921
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003611
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603
[1-(3,5-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026693
1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999612
[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003887

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 103000028) is N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)cc(OCCc2ccnn2C)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is BRGVBNDVONQTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-12(2)18-11-13-8-14(17)10-16(9-13)21-7-5-15-4-6-19-20(15)3/h4,6,8-10,12,18H,5,7,11H2,1-3H3.
What are the key properties of N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine?
N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 103000028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).