1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine

C14H19N3O2 — CID 55109973

IUPAC1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cnc[nH]2)cc1OC
InChIInChI=1S/C14H19N3O2/c1-10(16-8-12-7-15-9-17-12)11-4-5-13(18-2)14(6-11)19-3/h4-7,9-10,16H,8H2,1-3H3,(H,15,17)
InChIKeyZCSWAZYBJRPQMN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.28
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine

1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (PubChem CID 55109973) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
PubChem CID55109973
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cnc[nH]2)cc1OC
InChIInChI=1S/C14H19N3O2/c1-10(16-8-12-7-15-9-17-12)11-4-5-13(18-2)14(6-11)19-3/h4-7,9-10,16H,8H2,1-3H3,(H,15,17)
InChIKeyZCSWAZYBJRPQMN-UHFFFAOYSA-N
XLogP2.28
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
CID 62761945
1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
CID 65230792
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62998835
4-[1-(1H-imidazol-5-ylmethylamino)ethyl]benzonitrile
CID 62762285
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80711317
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfanylpentan-1-amine
CID 104926310
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (CID 55109973) is 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine is COc1ccc(C(C)NCc2cnc[nH]2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The InChIKey is ZCSWAZYBJRPQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(16-8-12-7-15-9-17-12)11-4-5-13(18-2)14(6-11)19-3/h4-7,9-10,16H,8H2,1-3H3,(H,15,17).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 55109973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).