2-methoxy-4-methyl-N-propan-2-ylaniline

C11H17NO — CID 59391426

IUPAC2-methoxy-4-methyl-N-propan-2-ylaniline
SMILESCOc1cc(C)ccc1NC(C)C
InChIInChI=1S/C11H17NO/c1-8(2)12-10-6-5-9(3)7-11(10)13-4/h5-8,12H,1-4H3
InChIKeyDYRRJLJVFXJGIZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.82
Rot. Bonds3

About 2-methoxy-4-methyl-N-propan-2-ylaniline

2-methoxy-4-methyl-N-propan-2-ylaniline (PubChem CID 59391426) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-propan-2-ylaniline
PubChem CID59391426
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methoxy-4-methyl-N-propan-2-ylaniline
SMILESCOc1cc(C)ccc1NC(C)C
InChIInChI=1S/C11H17NO/c1-8(2)12-10-6-5-9(3)7-11(10)13-4/h5-8,12H,1-4H3
InChIKeyDYRRJLJVFXJGIZ-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline
CID 63451142
2-methoxy-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 60930849
2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 63451274
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
N-(dithiophen-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60932474
N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline
CID 64918846
2-methoxy-4-methyl-N-(3-methylbutyl)aniline
CID 60930975
2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63450923
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539126
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-propan-2-ylaniline?
The IUPAC name of 2-methoxy-4-methyl-N-propan-2-ylaniline (CID 59391426) is 2-methoxy-4-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-propan-2-ylaniline?
The canonical SMILES for 2-methoxy-4-methyl-N-propan-2-ylaniline is COc1cc(C)ccc1NC(C)C.
What is the InChIKey of 2-methoxy-4-methyl-N-propan-2-ylaniline?
The InChIKey is DYRRJLJVFXJGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)12-10-6-5-9(3)7-11(10)13-4/h5-8,12H,1-4H3.
What are the key properties of 2-methoxy-4-methyl-N-propan-2-ylaniline?
2-methoxy-4-methyl-N-propan-2-ylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 59391426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).