1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine

C16H23N3O2 — CID 60907055

IUPAC1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCc1cnn(C)c1
InChIInChI=1S/C16H23N3O2/c1-4-20-15-7-5-6-14(8-12(2)17)16(15)21-11-13-9-18-19(3)10-13/h5-7,9-10,12H,4,8,11,17H2,1-3H3
InChIKeyAEWHKBYJHDPFNT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.29
Rot. Bonds7

About 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine

1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine (PubChem CID 60907055) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
PubChem CID60907055
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCc1cnn(C)c1
InChIInChI=1S/C16H23N3O2/c1-4-20-15-7-5-6-14(8-12(2)17)16(15)21-11-13-9-18-19(3)10-13/h5-7,9-10,12H,4,8,11,17H2,1-3H3
InChIKeyAEWHKBYJHDPFNT-UHFFFAOYSA-N
XLogP2.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole
CID 62126746
1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958849
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
CID 54939238
1-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60906821
1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine
CID 79173898
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 61389688
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730122

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine (CID 60907055) is 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine is CCOc1cccc(CC(C)N)c1OCc1cnn(C)c1.
What is the InChIKey of 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is AEWHKBYJHDPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-20-15-7-5-6-14(8-12(2)17)16(15)21-11-13-9-18-19(3)10-13/h5-7,9-10,12H,4,8,11,17H2,1-3H3.
What are the key properties of 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 60907055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).