N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine

C15H23NO — CID 65331704

IUPACN-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1CCCOC1
InChIInChI=1S/C15H23NO/c1-3-16-15(14-8-5-9-17-11-14)13-7-4-6-12(2)10-13/h4,6-7,10,14-16H,3,5,8-9,11H2,1-2H3
InChIKeyCQUSDDXHWWAHLT-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.07
Rot. Bonds4

About N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine

N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 65331704) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
PubChem CID65331704
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1CCCOC1
InChIInChI=1S/C15H23NO/c1-3-16-15(14-8-5-9-17-11-14)13-7-4-6-12(2)10-13/h4,6-7,10,14-16H,3,5,8-9,11H2,1-2H3
InChIKeyCQUSDDXHWWAHLT-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65332476
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 64774201
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043
N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
CID 81231200
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine (CID 65331704) is N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1cccc(C)c1)C1CCCOC1.
What is the InChIKey of N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is CQUSDDXHWWAHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16-15(14-8-5-9-17-11-14)13-7-4-6-12(2)10-13/h4,6-7,10,14-16H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65331704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).