N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine

C13H20N2O — CID 63558537

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccccc1CN)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-15(13-6-7-16-10-13)9-12-5-3-2-4-11(12)8-14/h2-5,13H,6-10,14H2,1H3
InChIKeyOZJZPWBBFCSNBY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.37
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine (PubChem CID 63558537) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine
PubChem CID63558537
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccccc1CN)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-15(13-6-7-16-10-13)9-12-5-3-2-4-11(12)8-14/h2-5,13H,6-10,14H2,1H3
InChIKeyOZJZPWBBFCSNBY-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
CID 107878596
N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine
CID 82732197
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide
CID 62047698
4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82732035
4-[2-[[methyl(oxolan-3-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 82747869
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 82754485
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82983002
8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine
CID 82732530
3-[[methyl(oxolan-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 82742607
N-[2-(2-aminopropyl)phenyl]-N-methyloxan-4-amine
CID 63785331

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine (CID 63558537) is N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine is CN(Cc1ccccc1CN)C1CCOC1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine?
The InChIKey is OZJZPWBBFCSNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(13-6-7-16-10-13)9-12-5-3-2-4-11(12)8-14/h2-5,13H,6-10,14H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 63558537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).