N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline

C15H26N2O — CID 82951035

IUPACN-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
SMILESCNC(C)c1ccc(N(CCOC)C(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-12(2)17(10-11-18-5)15-8-6-14(7-9-15)13(3)16-4/h6-9,12-13,16H,10-11H2,1-5H3
InChIKeyODHRDBNEXZTBPE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.83
Rot. Bonds7

About N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline

N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline (PubChem CID 82951035) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
PubChem CID82951035
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
SMILESCNC(C)c1ccc(N(CCOC)C(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-12(2)17(10-11-18-5)15-8-6-14(7-9-15)13(3)16-4/h6-9,12-13,16H,10-11H2,1-5H3
InChIKeyODHRDBNEXZTBPE-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.83
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'}

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Related Compounds

(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638
N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-propan-2-ylpyridin-3-amine
CID 83128056
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 114066905
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone
CID 82951599
4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 55010763
1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea
CID 82938648
2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline
CID 62913078
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527
N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine
CID 83122101
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine
CID 82948626
2-bromo-N-(2-methoxyethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910434

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
The IUPAC name of N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline (CID 82951035) is N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline.
What is the SMILES notation for N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
The canonical SMILES for N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline is CNC(C)c1ccc(N(CCOC)C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
The InChIKey is ODHRDBNEXZTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)17(10-11-18-5)15-8-6-14(7-9-15)13(3)16-4/h6-9,12-13,16H,10-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline is sourced from PubChem (CID 82951035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).