[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine

C13H19NO2 — CID 63936820

IUPAC[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
SMILESCc1ccc(OC2CCOCC2)c(CN)c1
InChIInChI=1S/C13H19NO2/c1-10-2-3-13(11(8-10)9-14)16-12-4-6-15-7-5-12/h2-3,8,12H,4-7,9,14H2,1H3
InChIKeyPTKTXRBKWORBDN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds3

About [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine

[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine (PubChem CID 63936820) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
PubChem CID63936820
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
SMILESCc1ccc(OC2CCOCC2)c(CN)c1
InChIInChI=1S/C13H19NO2/c1-10-2-3-13(11(8-10)9-14)16-12-4-6-15-7-5-12/h2-3,8,12H,4-7,9,14H2,1H3
InChIKeyPTKTXRBKWORBDN-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858
[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
CID 117296439
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286
[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
CID 79163433
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
CID 77013728
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450
4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine?
The IUPAC name of [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine (CID 63936820) is [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine.
What is the SMILES notation for [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine?
The canonical SMILES for [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine is Cc1ccc(OC2CCOCC2)c(CN)c1.
What is the InChIKey of [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine?
The InChIKey is PTKTXRBKWORBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-2-3-13(11(8-10)9-14)16-12-4-6-15-7-5-12/h2-3,8,12H,4-7,9,14H2,1H3.
What are the key properties of [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine?
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(oxan-4-yloxy)phenyl]methanamine is sourced from PubChem (CID 63936820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).