N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline

C16H22N4O — CID 66134412

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline
SMILESCCn1cncc1CNc1ccccc1N1CCOCC1
InChIInChI=1S/C16H22N4O/c1-2-19-13-17-11-14(19)12-18-15-5-3-4-6-16(15)20-7-9-21-10-8-20/h3-6,11,13,18H,2,7-10,12H2,1H3
InChIKeyXCDMHRLUZBISAA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.35
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline

N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline (PubChem CID 66134412) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline
PubChem CID66134412
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline
SMILESCCn1cncc1CNc1ccccc1N1CCOCC1
InChIInChI=1S/C16H22N4O/c1-2-19-13-17-11-14(19)12-18-15-5-3-4-6-16(15)20-7-9-21-10-8-20/h3-6,11,13,18H,2,7-10,12H2,1H3
InChIKeyXCDMHRLUZBISAA-UHFFFAOYSA-N
XLogP2.35
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 66134418
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
2-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
CID 43229589
N-[(3-ethylimidazol-4-yl)methyl]morpholin-4-amine
CID 83008990
N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline
CID 66133608
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
N-[(3-ethylimidazol-4-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66133781
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656413
N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 66135063
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
4-bromo-2,3-dichloro-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 107787455

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline (CID 66134412) is N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline is CCn1cncc1CNc1ccccc1N1CCOCC1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline?
The InChIKey is XCDMHRLUZBISAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-19-13-17-11-14(19)12-18-15-5-3-4-6-16(15)20-7-9-21-10-8-20/h3-6,11,13,18H,2,7-10,12H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline?
N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline has a molecular weight of 286.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline is sourced from PubChem (CID 66134412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).