2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine

C18H27N3O — CID 83986828

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(C(C)(C)C)nn2C)cc1C
InChIInChI=1S/C18H27N3O/c1-12-9-13(7-8-16(12)22-6)14(11-19)15-10-17(18(2,3)4)20-21(15)5/h7-10,14H,11,19H2,1-6H3
InChIKeyLFDJXEBFDOURCD-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.13
Rot. Bonds4

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine

2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 83986828) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID83986828
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(C(C)(C)C)nn2C)cc1C
InChIInChI=1S/C18H27N3O/c1-12-9-13(7-8-16(12)22-6)14(11-19)15-10-17(18(2,3)4)20-21(15)5/h7-10,14H,11,19H2,1-6H3
InChIKeyLFDJXEBFDOURCD-UHFFFAOYSA-N
XLogP3.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986832
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine
CID 83987721
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986514
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine
CID 83987069
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine
CID 83986380
2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986824
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine
CID 83986850
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83986338
2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986834

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine (CID 83986828) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine is COc1ccc(C(CN)c2cc(C(C)(C)C)nn2C)cc1C.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is LFDJXEBFDOURCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-12-9-13(7-8-16(12)22-6)14(11-19)15-10-17(18(2,3)4)20-21(15)5/h7-10,14H,11,19H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine has a molecular weight of 301.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 83986828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).