4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline

C13H21NO2 — CID 125458342

IUPAC4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline
SMILESCCC[C@@H](C)OCc1cc(OC)ccc1N
InChIInChI=1S/C13H21NO2/c1-4-5-10(2)16-9-11-8-12(15-3)6-7-13(11)14/h6-8,10H,4-5,9,14H2,1-3H3/t10-/m1/s1
InChIKeyWZPAKUMGLHPYCX-SNVBAGLBSA-N
MW223.32 g/mol
LogP2.98
Rot. Bonds6

About 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline

4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline (PubChem CID 125458342) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline
PubChem CID125458342
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline
SMILESCCC[C@@H](C)OCc1cc(OC)ccc1N
InChIInChI=1S/C13H21NO2/c1-4-5-10(2)16-9-11-8-12(15-3)6-7-13(11)14/h6-8,10H,4-5,9,14H2,1-3H3/t10-/m1/s1
InChIKeyWZPAKUMGLHPYCX-SNVBAGLBSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-5-methoxyphenyl)butan-2-ol
CID 23434309
(E)-3-[4-methoxy-2-(pentan-2-yloxymethyl)phenyl]prop-2-enoic acid
CID 102983306
4-chloro-3-(pentan-2-yloxymethyl)aniline
CID 102980604
1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885471
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 113305256
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
2-methyl-4-pentan-2-yloxyaniline
CID 102980398
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
3-[4-methoxy-3-(pentan-2-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 102983240

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline?
The IUPAC name of 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline (CID 125458342) is 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline.
What is the SMILES notation for 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline?
The canonical SMILES for 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline is CCC[C@@H](C)OCc1cc(OC)ccc1N.
What is the InChIKey of 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline?
The InChIKey is WZPAKUMGLHPYCX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-10(2)16-9-11-8-12(15-3)6-7-13(11)14/h6-8,10H,4-5,9,14H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline?
4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline has a molecular weight of 223.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline is sourced from PubChem (CID 125458342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).