1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine

C15H23NO — CID 107139167

IUPAC1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCCc1ccccc1C(NC)C1CCCOC1
InChIInChI=1S/C15H23NO/c1-3-12-7-4-5-9-14(12)15(16-2)13-8-6-10-17-11-13/h4-5,7,9,13,15-16H,3,6,8,10-11H2,1-2H3
InChIKeyATVHKYAHMHBPGR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine

1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 107139167) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID107139167
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCCc1ccccc1C(NC)C1CCCOC1
InChIInChI=1S/C15H23NO/c1-3-12-7-4-5-9-14(12)15(16-2)13-8-6-10-17-11-13/h4-5,7,9,13,15-16H,3,6,8,10-11H2,1-2H3
InChIKeyATVHKYAHMHBPGR-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
1-cycloheptyl-1-(2-ethylphenyl)-N-methylmethanamine
CID 105027920
1-(2-bromo-3-methylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 114024257
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139176
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139182
[cyclohexyl-(2-ethylphenyl)methyl]hydrazine
CID 105282130
[(2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229812
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine
CID 107138816
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 104541616

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine (CID 107139167) is 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine is CCc1ccccc1C(NC)C1CCCOC1.
What is the InChIKey of 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is ATVHKYAHMHBPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-12-7-4-5-9-14(12)15(16-2)13-8-6-10-17-11-13/h4-5,7,9,13,15-16H,3,6,8,10-11H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 107139167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).