1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine

C16H25NO2 — CID 63325810

IUPAC1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
SMILESCc1ccc(OCC2CCOCC2)c(CC(C)N)c1
InChIInChI=1S/C16H25NO2/c1-12-3-4-16(15(9-12)10-13(2)17)19-11-14-5-7-18-8-6-14/h3-4,9,13-14H,5-8,10-11,17H2,1-2H3
InChIKeyVEZFUOXATHUYTD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds5

About 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine

1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine (PubChem CID 63325810) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
PubChem CID63325810
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
SMILESCc1ccc(OCC2CCOCC2)c(CC(C)N)c1
InChIInChI=1S/C16H25NO2/c1-12-3-4-16(15(9-12)10-13(2)17)19-11-14-5-7-18-8-6-14/h3-4,9,13-14H,5-8,10-11,17H2,1-2H3
InChIKeyVEZFUOXATHUYTD-UHFFFAOYSA-N
XLogP2.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
CID 55204163
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
5-methyl-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 107929588
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine (CID 63325810) is 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine is Cc1ccc(OCC2CCOCC2)c(CC(C)N)c1.
What is the InChIKey of 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is VEZFUOXATHUYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-3-4-16(15(9-12)10-13(2)17)19-11-14-5-7-18-8-6-14/h3-4,9,13-14H,5-8,10-11,17H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63325810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).