1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine

C14H21NO2 — CID 63935405

IUPAC1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
SMILESCc1ccc(C(C)N)c(OC2CCOCC2)c1
InChIInChI=1S/C14H21NO2/c1-10-3-4-13(11(2)15)14(9-10)17-12-5-7-16-8-6-12/h3-4,9,11-12H,5-8,15H2,1-2H3
InChIKeyGPCSLQRZAVYXKB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.57
Rot. Bonds3

About 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine

1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine (PubChem CID 63935405) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
PubChem CID63935405
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
SMILESCc1ccc(C(C)N)c(OC2CCOCC2)c1
InChIInChI=1S/C14H21NO2/c1-10-3-4-13(11(2)15)14(9-10)17-12-5-7-16-8-6-12/h3-4,9,11-12H,5-8,15H2,1-2H3
InChIKeyGPCSLQRZAVYXKB-UHFFFAOYSA-N
XLogP2.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]oxolan-2-one
CID 55246108
(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-methylphenyl]ethanamine
CID 55246862
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
CID 63936820
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine (CID 63935405) is 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine is Cc1ccc(C(C)N)c(OC2CCOCC2)c1.
What is the InChIKey of 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine?
The InChIKey is GPCSLQRZAVYXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-4-13(11(2)15)14(9-10)17-12-5-7-16-8-6-12/h3-4,9,11-12H,5-8,15H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine?
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine is sourced from PubChem (CID 63935405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).