2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

C18H26N2O — CID 62474227

IUPAC2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(OC(C)C)ccc1NCc1cc(C)n(C)c1C
InChIInChI=1S/C18H26N2O/c1-12(2)21-17-7-8-18(13(3)9-17)19-11-16-10-14(4)20(6)15(16)5/h7-10,12,19H,11H2,1-6H3
InChIKeyQCCKZXIJCUHJHG-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.35
Rot. Bonds5

About 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 62474227) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID62474227
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(OC(C)C)ccc1NCc1cc(C)n(C)c1C
InChIInChI=1S/C18H26N2O/c1-12(2)21-17-7-8-18(13(3)9-17)19-11-16-10-14(4)20(6)15(16)5/h7-10,12,19H,11H2,1-6H3
InChIKeyQCCKZXIJCUHJHG-UHFFFAOYSA-N
XLogP4.35
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 55080855
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 115682395
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 102834532
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 105401404
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 66411969
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
N-(3,3-dimethylbutyl)-2-methyl-4-propan-2-yloxyaniline
CID 63450883
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
CID 104749166
2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine
CID 66385982
2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol
CID 81418502
4-fluoro-2-iodo-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 79769306
4-bromo-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 43226476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 62474227) is 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is Cc1cc(OC(C)C)ccc1NCc1cc(C)n(C)c1C.
What is the InChIKey of 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is QCCKZXIJCUHJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)21-17-7-8-18(13(3)9-17)19-11-16-10-14(4)20(6)15(16)5/h7-10,12,19H,11H2,1-6H3.
What are the key properties of 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 62474227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).