N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine

C14H21NO2 — CID 103132805

IUPACN-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
SMILESCNCc1ccc(OCC2CCC(C)O2)cc1
InChIInChI=1S/C14H21NO2/c1-11-3-6-14(17-11)10-16-13-7-4-12(5-8-13)9-15-2/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3
InChIKeyVEKXDAXLOBOXLH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine

N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine (PubChem CID 103132805) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
PubChem CID103132805
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
SMILESCNCc1ccc(OCC2CCC(C)O2)cc1
InChIInChI=1S/C14H21NO2/c1-11-3-6-14(17-11)10-16-13-7-4-12(5-8-13)9-15-2/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3
InChIKeyVEKXDAXLOBOXLH-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 103132869
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 116520718
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103132895
1-[3-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 103133008
2-chloro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134259
2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103143092
2-methyl-N-[[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103133309
3-[(5-methyloxolan-2-yl)methoxy]pyridine
CID 103141074
2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane
CID 103135320
2-bromo-5-[(5-methyloxolan-2-yl)methoxy]benzaldehyde
CID 103134514
[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132539

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine (CID 103132805) is N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine is CNCc1ccc(OCC2CCC(C)O2)cc1.
What is the InChIKey of N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine?
The InChIKey is VEKXDAXLOBOXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-3-6-14(17-11)10-16-13-7-4-12(5-8-13)9-15-2/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine?
N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 103132805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).