N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine

C14H21NO2 — CID 113338521

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
SMILESCOCc1ccc(CNC2(C)CCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-14(7-8-17-11-14)15-9-12-3-5-13(6-4-12)10-16-2/h3-6,15H,7-11H2,1-2H3
InChIKeyJIRNWRKJMZKPAC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds5

About N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine

N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine (PubChem CID 113338521) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
PubChem CID113338521
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
SMILESCOCc1ccc(CNC2(C)CCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-14(7-8-17-11-14)15-9-12-3-5-13(6-4-12)10-16-2/h3-6,15H,7-11H2,1-2H3
InChIKeyJIRNWRKJMZKPAC-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine
CID 115654216
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897453
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
CID 103897385
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine
CID 113338525
N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
CID 113321797
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine (CID 113338521) is N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine is COCc1ccc(CNC2(C)CCOC2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine?
The InChIKey is JIRNWRKJMZKPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(7-8-17-11-14)15-9-12-3-5-13(6-4-12)10-16-2/h3-6,15H,7-11H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine?
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 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]-3-methyloxolan-3-amine is sourced from PubChem (CID 113338521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).