[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine

C16H25NO2 — CID 114479437

IUPAC[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COC1CC(C)OC(C)C1
InChIInChI=1S/C16H25NO2/c1-11-6-14(9-17)4-5-15(11)10-18-16-7-12(2)19-13(3)8-16/h4-6,12-13,16H,7-10,17H2,1-3H3
InChIKeyCZSCSVSJDORVEA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds4

About [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine

[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine (PubChem CID 114479437) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
PubChem CID114479437
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COC1CC(C)OC(C)C1
InChIInChI=1S/C16H25NO2/c1-11-6-14(9-17)4-5-15(11)10-18-16-7-12(2)19-13(3)8-16/h4-6,12-13,16H,7-10,17H2,1-3H3
InChIKeyCZSCSVSJDORVEA-UHFFFAOYSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine (CID 114479437) is [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine is Cc1cc(CN)ccc1COC1CC(C)OC(C)C1.
What is the InChIKey of [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine?
The InChIKey is CZSCSVSJDORVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-6-14(9-17)4-5-15(11)10-18-16-7-12(2)19-13(3)8-16/h4-6,12-13,16H,7-10,17H2,1-3H3.
What are the key properties of [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine?
[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114479437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).