2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol

C13H15Cl2N3O — CID 107679308

IUPAC2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
SMILESCCCn1cncc1CNc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-2-3-18-8-16-6-10(18)7-17-9-4-11(14)13(19)12(15)5-9/h4-6,8,17,19H,2-3,7H2,1H3
InChIKeyFLMVLSQFVTYNNE-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.92
Rot. Bonds5

About 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol

2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol (PubChem CID 107679308) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
PubChem CID107679308
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
SMILESCCCn1cncc1CNc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-2-3-18-8-16-6-10(18)7-17-9-4-11(14)13(19)12(15)5-9/h4-6,8,17,19H,2-3,7H2,1H3
InChIKeyFLMVLSQFVTYNNE-UHFFFAOYSA-N
XLogP3.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
2,4,6-trichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135198
3-[(3-propylimidazol-4-yl)methylamino]phenol
CID 66134782
3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 79054956
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397
6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine
CID 114256350
6-chloro-N-[(3-propylimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 66133355
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
3-methylsulfanyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134358

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol (CID 107679308) is 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol is CCCn1cncc1CNc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol?
The InChIKey is FLMVLSQFVTYNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-2-3-18-8-16-6-10(18)7-17-9-4-11(14)13(19)12(15)5-9/h4-6,8,17,19H,2-3,7H2,1H3.
What are the key properties of 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol?
2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol has a molecular weight of 300.19 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol is sourced from PubChem (CID 107679308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).