N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine

C15H23NO — CID 55189666

IUPACN-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
SMILESCc1cc(C)c(CNC2CCCOC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-7-13(3)14(8-12(11)2)9-16-15-5-4-6-17-10-15/h7-8,15-16H,4-6,9-10H2,1-3H3
InChIKeyQTSPOQGOSCJIFN-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.88
Rot. Bonds3

About N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine

N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine (PubChem CID 55189666) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
PubChem CID55189666
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
SMILESCc1cc(C)c(CNC2CCCOC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-7-13(3)14(8-12(11)2)9-16-15-5-4-6-17-10-15/h7-8,15-16H,4-6,9-10H2,1-3H3
InChIKeyQTSPOQGOSCJIFN-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine
CID 43778528
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 55188586
(3S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 98485911
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]oxan-3-amine
CID 55188959

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine?
The IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine (CID 55189666) is N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine is Cc1cc(C)c(CNC2CCCOC2)cc1C.
What is the InChIKey of N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine?
The InChIKey is QTSPOQGOSCJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-13(3)14(8-12(11)2)9-16-15-5-4-6-17-10-15/h7-8,15-16H,4-6,9-10H2,1-3H3.
What are the key properties of N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine?
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine has a molecular weight of 233.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine is sourced from PubChem (CID 55189666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).