1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine

C16H23N3O — CID 82878160

IUPAC1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OCc1ccn(C)n1
InChIInChI=1S/C16H23N3O/c1-11-7-14(9-13(3)17)8-12(2)16(11)20-10-15-5-6-19(4)18-15/h5-8,13H,9-10,17H2,1-4H3
InChIKeyUGXNAOBQSWZVLU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.51
Rot. Bonds5

About 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine

1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine (PubChem CID 82878160) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
PubChem CID82878160
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OCc1ccn(C)n1
InChIInChI=1S/C16H23N3O/c1-11-7-14(9-13(3)17)8-12(2)16(11)20-10-15-5-6-19(4)18-15/h5-8,13H,9-10,17H2,1-4H3
InChIKeyUGXNAOBQSWZVLU-UHFFFAOYSA-N
XLogP2.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 82876258
1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82876572
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile
CID 82866204
3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865663
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 61484586
1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 63421033
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670
2-methyl-N-[[3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115954356
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
3-bromo-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865662
(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 113387010

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine (CID 82878160) is 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine is Cc1cc(CC(C)N)cc(C)c1OCc1ccn(C)n1.
What is the InChIKey of 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is UGXNAOBQSWZVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-7-14(9-13(3)17)8-12(2)16(11)20-10-15-5-6-19(4)18-15/h5-8,13H,9-10,17H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine?
1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 82878160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).