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

C17H27NO — CID 65332034

IUPACN-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)cc1C)C1CCCOC1
InChIInChI=1S/C17H27NO/c1-5-18-17(15-7-6-8-19-11-15)16-10-13(3)12(2)9-14(16)4/h9-10,15,17-18H,5-8,11H2,1-4H3
InChIKeyXMVOODRUGQEVBI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.69
Rot. Bonds4

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

N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 65332034) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID65332034
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)cc1C)C1CCCOC1
InChIInChI=1S/C17H27NO/c1-5-18-17(15-7-6-8-19-11-15)16-10-13(3)12(2)9-14(16)4/h9-10,15,17-18H,5-8,11H2,1-4H3
InChIKeyXMVOODRUGQEVBI-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138948
N-[(2,5-dibromo-4-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 81473120
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043
N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139181
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
N-[(4-chloro-2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138788
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine (CID 65332034) is N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)c(C)cc1C)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is XMVOODRUGQEVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18-17(15-7-6-8-19-11-15)16-10-13(3)12(2)9-14(16)4/h9-10,15,17-18H,5-8,11H2,1-4H3.
What are the key properties of N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine?
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 65332034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).