N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine

C17H31N3O — CID 102995261

IUPACN'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ccccc1CNCCOC
InChIInChI=1S/C17H31N3O/c1-5-20(13-8-12-19(2)3)17-10-7-6-9-16(17)15-18-11-14-21-4/h6-7,9-10,18H,5,8,11-15H2,1-4H3
InChIKeyWOKCSMUPVVBAHA-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.20
Rot. Bonds11

About N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine

N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 102995261) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
PubChem CID102995261
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ccccc1CNCCOC
InChIInChI=1S/C17H31N3O/c1-5-20(13-8-12-19(2)3)17-10-7-6-9-16(17)15-18-11-14-21-4/h6-7,9-10,18H,5,8,11-15H2,1-4H3
InChIKeyWOKCSMUPVVBAHA-UHFFFAOYSA-N
XLogP2.20
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058895
N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699734
N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63690496
N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995262
N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 63059826
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 62569298
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62575841
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
N-butyl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058912
2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63070903
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059978

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine (CID 102995261) is N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1ccccc1CNCCOC.
What is the InChIKey of N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine?
The InChIKey is WOKCSMUPVVBAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-20(13-8-12-19(2)3)17-10-7-6-9-16(17)15-18-11-14-21-4/h6-7,9-10,18H,5,8,11-15H2,1-4H3.
What are the key properties of N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine?
N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102995261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).