N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine

C15H23NO2 — CID 103887979

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine
SMILESCOCc1ccc(CNC2CCOC(C)C2)cc1
InChIInChI=1S/C15H23NO2/c1-12-9-15(7-8-18-12)16-10-13-3-5-14(6-4-13)11-17-2/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyHBUQPZSHJYTXBV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.49
Rot. Bonds5

About N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine

N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine (PubChem CID 103887979) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine
PubChem CID103887979
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine
SMILESCOCc1ccc(CNC2CCOC(C)C2)cc1
InChIInChI=1S/C15H23NO2/c1-12-9-15(7-8-18-12)16-10-13-3-5-14(6-4-13)11-17-2/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyHBUQPZSHJYTXBV-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine
CID 103887921
2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
CID 103887825
3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
CID 103887972
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965630
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine
CID 103887823
3-chloro-2-[[(2-methyloxan-4-yl)amino]methyl]phenol
CID 113346316
methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate
CID 103923807
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940
1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione
CID 103887824
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine (CID 103887979) is N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine is COCc1ccc(CNC2CCOC(C)C2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine?
The InChIKey is HBUQPZSHJYTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-9-15(7-8-18-12)16-10-13-3-5-14(6-4-13)11-17-2/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine?
N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine has a molecular weight of 249.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine is sourced from PubChem (CID 103887979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).