(4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine

C13H17N3O — CID 116835162

IUPAC(4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine
SMILESCCOc1ccc(C(N)c2ncc[nH]2)cc1C
InChIInChI=1S/C13H17N3O/c1-3-17-11-5-4-10(8-9(11)2)12(14)13-15-6-7-16-13/h4-8,12H,3,14H2,1-2H3,(H,15,16)
InChIKeyVXRDFMNALZOLHF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds4

About (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine

(4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine (PubChem CID 116835162) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine
PubChem CID116835162
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine
SMILESCCOc1ccc(C(N)c2ncc[nH]2)cc1C
InChIInChI=1S/C13H17N3O/c1-3-17-11-5-4-10(8-9(11)2)12(14)13-15-6-7-16-13/h4-8,12H,3,14H2,1-2H3,(H,15,16)
InChIKeyVXRDFMNALZOLHF-UHFFFAOYSA-N
XLogP2.16
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine
CID 116835164
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
(4-fluorophenyl)-(1H-imidazol-2-yl)methanamine
CID 67419097
(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 97052988
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1,3-diamino-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116942528
[3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite
CID 67421110

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine?
The IUPAC name of (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine (CID 116835162) is (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine.
What is the SMILES notation for (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine?
The canonical SMILES for (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine is CCOc1ccc(C(N)c2ncc[nH]2)cc1C.
What is the InChIKey of (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine?
The InChIKey is VXRDFMNALZOLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-11-5-4-10(8-9(11)2)12(14)13-15-6-7-16-13/h4-8,12H,3,14H2,1-2H3,(H,15,16).
What are the key properties of (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine?
(4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 116835162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).