[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine

C15H23NO — CID 114078375

IUPAC[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine
SMILESCc1cc(C)c(C2OCCCC2CN)cc1C
InChIInChI=1S/C15H23NO/c1-10-7-12(3)14(8-11(10)2)15-13(9-16)5-4-6-17-15/h7-8,13,15H,4-6,9,16H2,1-3H3
InChIKeyVOVABMWEBWNGLR-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.04
Rot. Bonds2

About [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine

[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine (PubChem CID 114078375) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine
PubChem CID114078375
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine
SMILESCc1cc(C)c(C2OCCCC2CN)cc1C
InChIInChI=1S/C15H23NO/c1-10-7-12(3)14(8-11(10)2)15-13(9-16)5-4-6-17-15/h7-8,13,15H,4-6,9,16H2,1-3H3
InChIKeyVOVABMWEBWNGLR-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
[2-(3-bromo-4-methylphenyl)oxan-3-yl]methanamine
CID 105411661
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine
CID 79978587
N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365930
[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine
CID 79427333
[2-(furan-3-yl)oxan-3-yl]methanamine
CID 79367660
3-(chloromethyl)-2-(2-methylphenyl)oxane
CID 79373949
[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine
CID 103277815
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine
CID 81012688
N-[[2-(2,4-dimethylphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79365822

Frequently Asked Questions

What is the IUPAC name of [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine?
The IUPAC name of [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine (CID 114078375) is [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine.
What is the SMILES notation for [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine?
The canonical SMILES for [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine is Cc1cc(C)c(C2OCCCC2CN)cc1C.
What is the InChIKey of [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine?
The InChIKey is VOVABMWEBWNGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-12(3)14(8-11(10)2)15-13(9-16)5-4-6-17-15/h7-8,13,15H,4-6,9,16H2,1-3H3.
What are the key properties of [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine?
[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine is sourced from PubChem (CID 114078375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).