N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline

C14H22N2O — CID 61431971

IUPACN-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
SMILESCNCc1ccccc1N(C)CC1CCCO1
InChIInChI=1S/C14H22N2O/c1-15-10-12-6-3-4-8-14(12)16(2)11-13-7-5-9-17-13/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3
InChIKeyMYNIBQHGWJDWJV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline

N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline (PubChem CID 61431971) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
PubChem CID61431971
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
SMILESCNCc1ccccc1N(C)CC1CCCO1
InChIInChI=1S/C14H22N2O/c1-15-10-12-6-3-4-8-14(12)16(2)11-13-7-5-9-17-13/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3
InChIKeyMYNIBQHGWJDWJV-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 63059546
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 63630728
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
CID 124889480
N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432564
[5-methyl-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 114054435
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281999
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848960

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline (CID 61431971) is N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline is CNCc1ccccc1N(C)CC1CCCO1.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is MYNIBQHGWJDWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-10-12-6-3-4-8-14(12)16(2)11-13-7-5-9-17-13/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline?
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 61431971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).