N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline

C13H22N2O — CID 63007851

IUPACN-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)CCCOC)cc1
InChIInChI=1S/C13H22N2O/c1-14-11-12-5-7-13(8-6-12)15(2)9-4-10-16-3/h5-8,14H,4,9-11H2,1-3H3
InChIKeyGCTFVSCGNOSAMS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.88
Rot. Bonds7

About N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline

N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline (PubChem CID 63007851) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline
PubChem CID63007851
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)CCCOC)cc1
InChIInChI=1S/C13H22N2O/c1-14-11-12-5-7-13(8-6-12)15(2)9-4-10-16-3/h5-8,14H,4,9-11H2,1-3H3
InChIKeyGCTFVSCGNOSAMS-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698869
N-(2-methoxyethyl)-N-methyl-4-[2-(methylamino)ethyl]aniline
CID 148951067
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)aniline
CID 79849570
N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636357
N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline
CID 43281929
N-ethyl-2-methoxy-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62434714
4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207022
5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 63008843
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132161

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline (CID 63007851) is N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline is CNCc1ccc(N(C)CCCOC)cc1.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline?
The InChIKey is GCTFVSCGNOSAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-11-12-5-7-13(8-6-12)15(2)9-4-10-16-3/h5-8,14H,4,9-11H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline?
N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline has a molecular weight of 222.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 63007851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).