N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline

C16H23N3O — CID 66135063

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
SMILESCCn1cncc1CNc1ccccc1OCC(C)C
InChIInChI=1S/C16H23N3O/c1-4-19-12-17-9-14(19)10-18-15-7-5-6-8-16(15)20-11-13(2)3/h5-9,12-13,18H,4,10-11H2,1-3H3
InChIKeyOFSFGKPJWJMNFB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.55
Rot. Bonds7

About N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline

N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline (PubChem CID 66135063) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
PubChem CID66135063
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
SMILESCCn1cncc1CNc1ccccc1OCC(C)C
InChIInChI=1S/C16H23N3O/c1-4-19-12-17-9-14(19)10-18-15-7-5-6-8-16(15)20-11-13(2)3/h5-9,12-13,18H,4,10-11H2,1-3H3
InChIKeyOFSFGKPJWJMNFB-UHFFFAOYSA-N
XLogP3.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
2-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)aniline
CID 54864920
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline
CID 66133417
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline
CID 66133624
2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline
CID 54864900
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 79579422
N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline
CID 66134412
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
N-[(3-ethylimidazol-4-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66133781

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline (CID 66135063) is N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline is CCn1cncc1CNc1ccccc1OCC(C)C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
The InChIKey is OFSFGKPJWJMNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19-12-17-9-14(19)10-18-15-7-5-6-8-16(15)20-11-13(2)3/h5-9,12-13,18H,4,10-11H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline has a molecular weight of 273.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 66135063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).