(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine

C12H14ClN3O — CID 116835164

IUPAC(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine
SMILESCCOc1ccc(C(N)c2ncc[nH]2)cc1Cl
InChIInChI=1S/C12H14ClN3O/c1-2-17-10-4-3-8(7-9(10)13)11(14)12-15-5-6-16-12/h3-7,11H,2,14H2,1H3,(H,15,16)
InChIKeyFEJFIPJGXOBFKL-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.51
Rot. Bonds4

About (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine

(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine (PubChem CID 116835164) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine
PubChem CID116835164
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine
SMILESCCOc1ccc(C(N)c2ncc[nH]2)cc1Cl
InChIInChI=1S/C12H14ClN3O/c1-2-17-10-4-3-8(7-9(10)13)11(14)12-15-5-6-16-12/h3-7,11H,2,14H2,1H3,(H,15,16)
InChIKeyFEJFIPJGXOBFKL-UHFFFAOYSA-N
XLogP2.51
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine
CID 116835162
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
[3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite
CID 67421110
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
(4-fluorophenyl)-(1H-imidazol-2-yl)methanamine
CID 67419097
(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 97052988
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine
CID 116947040
1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 116934896
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
CID 105143419

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine?
The IUPAC name of (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine (CID 116835164) is (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine is CCOc1ccc(C(N)c2ncc[nH]2)cc1Cl.
What is the InChIKey of (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine?
The InChIKey is FEJFIPJGXOBFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-2-17-10-4-3-8(7-9(10)13)11(14)12-15-5-6-16-12/h3-7,11H,2,14H2,1H3,(H,15,16).
What are the key properties of (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine?
(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine has a molecular weight of 251.72 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 116835164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).