N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine

C14H21NO2 — CID 62484188

IUPACN-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine
SMILESCNCc1ccc(COCC2CCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-15-8-12-2-4-13(5-3-12)9-17-11-14-6-7-16-10-14/h2-5,14-15H,6-11H2,1H3
InChIKeyHIDLRRRYJPBLRO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds6

About N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine

N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine (PubChem CID 62484188) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine
PubChem CID62484188
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine
SMILESCNCc1ccc(COCC2CCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-15-8-12-2-4-13(5-3-12)9-17-11-14-6-7-16-10-14/h2-5,14-15H,6-11H2,1H3
InChIKeyHIDLRRRYJPBLRO-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105350841
3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 54977307
2-bromo-5-(oxolan-3-ylmethoxymethyl)aniline
CID 115557537
N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)furan-3-yl]methanamine
CID 55133858
2-methoxy-5-(oxolan-3-ylmethoxymethyl)benzenecarbothioamide
CID 65343766
5-chloro-N-methyl-6-(oxolan-3-ylmethoxymethyl)pyridin-2-amine
CID 62884966
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 61390168
[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine
CID 107558808
2-methyl-1-[3-(oxolan-3-ylmethoxy)propyl]-3-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111646116
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
4-(phenylmethoxymethyl)oxepane
CID 151980287

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine (CID 62484188) is N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine is CNCc1ccc(COCC2CCOC2)cc1.
What is the InChIKey of N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine?
The InChIKey is HIDLRRRYJPBLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-8-12-2-4-13(5-3-12)9-17-11-14-6-7-16-10-14/h2-5,14-15H,6-11H2,1H3.
What are the key properties of N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine?
N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 62484188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).