3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline

C15H21N3O2 — CID 103409739

IUPAC3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline
SMILESCOCCOCCCn1ccnc1-c1cccc(N)c1
InChIInChI=1S/C15H21N3O2/c1-19-10-11-20-9-3-7-18-8-6-17-15(18)13-4-2-5-14(16)12-13/h2,4-6,8,12H,3,7,9-11,16H2,1H3
InChIKeyFVVDZMDWVBKHML-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.19
Rot. Bonds8

About 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline

3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline (PubChem CID 103409739) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline
PubChem CID103409739
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline
SMILESCOCCOCCCn1ccnc1-c1cccc(N)c1
InChIInChI=1S/C15H21N3O2/c1-19-10-11-20-9-3-7-18-8-6-17-15(18)13-4-2-5-14(16)12-13/h2,4-6,8,12H,3,7,9-11,16H2,1H3
InChIKeyFVVDZMDWVBKHML-UHFFFAOYSA-N
XLogP2.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(1-butylimidazol-2-yl)aniline
CID 60813678
3-[1-(3-methylsulfonylpropyl)imidazol-2-yl]aniline
CID 63191637
4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline
CID 65175561
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline
CID 82866200
3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 60812856
3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
CID 63985676
3-[1-(3-methoxypropyl)-1,2,4-triazol-3-yl]aniline
CID 113384275
3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline
CID 107042816
6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine
CID 165428045
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline?
The IUPAC name of 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline (CID 103409739) is 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline.
What is the SMILES notation for 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline?
The canonical SMILES for 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline is COCCOCCCn1ccnc1-c1cccc(N)c1.
What is the InChIKey of 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline?
The InChIKey is FVVDZMDWVBKHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-10-11-20-9-3-7-18-8-6-17-15(18)13-4-2-5-14(16)12-13/h2,4-6,8,12H,3,7,9-11,16H2,1H3.
What are the key properties of 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline?
3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline has a molecular weight of 275.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline is sourced from PubChem (CID 103409739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).