N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline

C15H26N2O — CID 55141079

IUPACN-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)CCCOC
InChIInChI=1S/C15H26N2O/c1-4-10-16-13-14-8-5-6-9-15(14)17(2)11-7-12-18-3/h5-6,8-9,16H,4,7,10-13H2,1-3H3
InChIKeySSZZOAYLYNMZRL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds9

About N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline

N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline (PubChem CID 55141079) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
PubChem CID55141079
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)CCCOC
InChIInChI=1S/C15H26N2O/c1-4-10-16-13-14-8-5-6-9-15(14)17(2)11-7-12-18-3/h5-6,8-9,16H,4,7,10-13H2,1-3H3
InChIKeySSZZOAYLYNMZRL-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699734
N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995261
2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 63207560
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
CID 63010016
N,N-diethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058895
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847405
2-[3-methoxypropyl(methyl)amino]phenol
CID 134473103
N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
CID 63552832
3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 63009989

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline (CID 55141079) is N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(C)CCCOC.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline?
The InChIKey is SSZZOAYLYNMZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-10-16-13-14-8-5-6-9-15(14)17(2)11-7-12-18-3/h5-6,8-9,16H,4,7,10-13H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline?
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline has a molecular weight of 250.39 g/mol, XLogP of 2.66, 9 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-2-(propylaminomethyl)aniline is sourced from PubChem (CID 55141079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).