(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C19H29N3O — CID 95121409

IUPAC(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(CN(C)[C@@H](C)c2c(C)nn(C)c2C)c(C)c1C
InChIInChI=1S/C19H29N3O/c1-12-13(2)18(23-8)10-9-17(12)11-21(6)15(4)19-14(3)20-22(7)16(19)5/h9-10,15H,11H2,1-8H3/t15-/m0/s1
InChIKeyUQFFHGOVWIKXLZ-HNNXBMFYSA-N
MW315.46 g/mol
LogP3.86
Rot. Bonds5

About (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 95121409) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID95121409
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(CN(C)[C@@H](C)c2c(C)nn(C)c2C)c(C)c1C
InChIInChI=1S/C19H29N3O/c1-12-13(2)18(23-8)10-9-17(12)11-21(6)15(4)19-14(3)20-22(7)16(19)5/h9-10,15H,11H2,1-8H3/t15-/m0/s1
InChIKeyUQFFHGOVWIKXLZ-HNNXBMFYSA-N
XLogP3.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine with MolForge

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Related Compounds

N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 131892899
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
N-benzyl-5-[[methyl-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
CID 99955181
3-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119860
2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105083651
N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 79647393
2-(2-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105081597
(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
CID 117043360
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propanenitrile
CID 115230987

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 95121409) is (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is COc1ccc(CN(C)[C@@H](C)c2c(C)nn(C)c2C)c(C)c1C.
What is the InChIKey of (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is UQFFHGOVWIKXLZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-12-13(2)18(23-8)10-9-17(12)11-21(6)15(4)19-14(3)20-22(7)16(19)5/h9-10,15H,11H2,1-8H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 315.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 95121409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).