5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline

C18H28N2O — CID 138678718

IUPAC5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline
SMILESCc1cc(N)c(OC(C)C)cc1C1=C[C@@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/C18H28N2O/c1-11(2)21-18-10-16(12(3)7-17(18)19)15-8-13(4)20(6)14(5)9-15/h7-8,10-11,13-14H,9,19H2,1-6H3/t13-,14+/m1/s1
InChIKeyWSRRZVFSDBFEQA-KGLIPLIRSA-N
MW288.44 g/mol
LogP3.86
Rot. Bonds3

About 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline

5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline (PubChem CID 138678718) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline.

Molecular Properties

Compound Name5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline
PubChem CID138678718
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline
SMILESCc1cc(N)c(OC(C)C)cc1C1=C[C@@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/C18H28N2O/c1-11(2)21-18-10-16(12(3)7-17(18)19)15-8-13(4)20(6)14(5)9-15/h7-8,10-11,13-14H,9,19H2,1-6H3/t13-,14+/m1/s1
InChIKeyWSRRZVFSDBFEQA-KGLIPLIRSA-N
XLogP3.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline?
The IUPAC name of 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline (CID 138678718) is 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline.
What is the SMILES notation for 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline?
The canonical SMILES for 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline is Cc1cc(N)c(OC(C)C)cc1C1=C[C@@H](C)N(C)[C@@H](C)C1.
What is the InChIKey of 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline?
The InChIKey is WSRRZVFSDBFEQA-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H28N2O/c1-11(2)21-18-10-16(12(3)7-17(18)19)15-8-13(4)20(6)14(5)9-15/h7-8,10-11,13-14H,9,19H2,1-6H3/t13-,14+/m1/s1.
What are the key properties of 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline?
5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline has a molecular weight of 288.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline is sourced from PubChem (CID 138678718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).