N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline

C16H23N3O — CID 62352079

IUPACN-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline
SMILESCCn1ccnc1CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C16H23N3O/c1-4-19-9-8-17-16(19)11-18-14-6-5-7-15(10-14)20-12-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeySJERDJYHWZSFIM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.55
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline

N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline (PubChem CID 62352079) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline
PubChem CID62352079
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline
SMILESCCn1ccnc1CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C16H23N3O/c1-4-19-9-8-17-16(19)11-18-14-6-5-7-15(10-14)20-12-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeySJERDJYHWZSFIM-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

3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
CID 62357927
3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957381
N-butyl-3-(2-methylpropoxy)aniline
CID 54800101
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
N-[(4-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 54800055
N-[(6-bromo-2-pyridinyl)methyl]-3-(2-methylpropoxy)aniline
CID 115938141
3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720531
3-(2-methylpropoxy)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103720534
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 103756695
N'-butan-2-yl-N-[3-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808411

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline (CID 62352079) is N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline is CCn1ccnc1CNc1cccc(OCC(C)C)c1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline?
The InChIKey is SJERDJYHWZSFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19-9-8-17-16(19)11-18-14-6-5-7-15(10-14)20-12-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline?
N-[(1-ethylimidazol-2-yl)methyl]-3-(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-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline is sourced from PubChem (CID 62352079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).