(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

C15H21N3O — CID 95120184

IUPAC(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)N(C)Cc2cc(C)[nH]n2)cc1
InChIInChI=1S/C15H21N3O/c1-11-9-14(17-16-11)10-18(3)12(2)13-5-7-15(19-4)8-6-13/h5-9,12H,10H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyBSAIWUZRUAUQOA-GFCCVEGCSA-N
MW259.35 g/mol
LogP2.92
Rot. Bonds5

About (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (PubChem CID 95120184) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
PubChem CID95120184
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)N(C)Cc2cc(C)[nH]n2)cc1
InChIInChI=1S/C15H21N3O/c1-11-9-14(17-16-11)10-18(3)12(2)13-5-7-15(19-4)8-6-13/h5-9,12H,10H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyBSAIWUZRUAUQOA-GFCCVEGCSA-N
XLogP2.92
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 45194717
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
CID 165107258
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine
CID 25278602
(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine
CID 99933604
6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 91762891
4-[1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethyl]benzenesulfonamide
CID 78817551
2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine
CID 165107263
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (CID 95120184) is (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is COc1ccc([C@@H](C)N(C)Cc2cc(C)[nH]n2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The InChIKey is BSAIWUZRUAUQOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-9-14(17-16-11)10-18(3)12(2)13-5-7-15(19-4)8-6-13/h5-9,12H,10H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 95120184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).