4-(2-methoxy-4-methylphenoxy)pentan-2-amine

C13H21NO2 — CID 64708300

IUPAC4-(2-methoxy-4-methylphenoxy)pentan-2-amine
SMILESCOc1cc(C)ccc1OC(C)CC(C)N
InChIInChI=1S/C13H21NO2/c1-9-5-6-12(13(7-9)15-4)16-11(3)8-10(2)14/h5-7,10-11H,8,14H2,1-4H3
InChIKeyZDFHTOADKZKLKA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds5

About 4-(2-methoxy-4-methylphenoxy)pentan-2-amine

4-(2-methoxy-4-methylphenoxy)pentan-2-amine (PubChem CID 64708300) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)pentan-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)pentan-2-amine
PubChem CID64708300
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(2-methoxy-4-methylphenoxy)pentan-2-amine
SMILESCOc1cc(C)ccc1OC(C)CC(C)N
InChIInChI=1S/C13H21NO2/c1-9-5-6-12(13(7-9)15-4)16-11(3)8-10(2)14/h5-7,10-11H,8,14H2,1-4H3
InChIKeyZDFHTOADKZKLKA-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
CID 90686409
[3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine
CID 114284718
4-(2-methylphenoxy)pentan-2-amine
CID 64707496
1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene
CID 70658350
3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
CID 43752910
N-(4-aminopentan-2-yl)-2-methoxy-5-methylbenzamide
CID 113376825
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
CID 64694661
4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725224

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenoxy)pentan-2-amine?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)pentan-2-amine (CID 64708300) is 4-(2-methoxy-4-methylphenoxy)pentan-2-amine.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)pentan-2-amine?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)pentan-2-amine is COc1cc(C)ccc1OC(C)CC(C)N.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)pentan-2-amine?
The InChIKey is ZDFHTOADKZKLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-5-6-12(13(7-9)15-4)16-11(3)8-10(2)14/h5-7,10-11H,8,14H2,1-4H3.
What are the key properties of 4-(2-methoxy-4-methylphenoxy)pentan-2-amine?
4-(2-methoxy-4-methylphenoxy)pentan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)pentan-2-amine is sourced from PubChem (CID 64708300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).