N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline

C15H26N2O — CID 63059826

IUPACN-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
SMILESCCN(c1ccccc1CNCCOC)C(C)C
InChIInChI=1S/C15H26N2O/c1-5-17(13(2)3)15-9-7-6-8-14(15)12-16-10-11-18-4/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyKIBOWBUDVHECPB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds8

About N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline

N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline (PubChem CID 63059826) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
PubChem CID63059826
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
SMILESCCN(c1ccccc1CNCCOC)C(C)C
InChIInChI=1S/C15H26N2O/c1-5-17(13(2)3)15-9-7-6-8-14(15)12-16-10-11-18-4/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyKIBOWBUDVHECPB-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63070903
N,N-diethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058895
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995261
N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63690496
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059978
N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699734
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63806580
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
N-butan-2-yl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline?
The IUPAC name of N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline (CID 63059826) is N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline.
What is the SMILES notation for N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline?
The canonical SMILES for N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline is CCN(c1ccccc1CNCCOC)C(C)C.
What is the InChIKey of N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline?
The InChIKey is KIBOWBUDVHECPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(13(2)3)15-9-7-6-8-14(15)12-16-10-11-18-4/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline?
N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline is sourced from PubChem (CID 63059826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).