1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine

C15H21N3O2 — CID 64546221

IUPAC1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1ncc[nH]1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H21N3O2/c1-4-12(18-10-15-16-7-8-17-15)11-5-6-13(19-2)14(9-11)20-3/h5-9,12,18H,4,10H2,1-3H3,(H,16,17)
InChIKeyBZOWTKOCHKKSRO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.67
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine

1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine (PubChem CID 64546221) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
PubChem CID64546221
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1ncc[nH]1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H21N3O2/c1-4-12(18-10-15-16-7-8-17-15)11-5-6-13(19-2)14(9-11)20-3/h5-9,12,18H,4,10H2,1-3H3,(H,16,17)
InChIKeyBZOWTKOCHKKSRO-UHFFFAOYSA-N
XLogP2.67
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 119111306
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119110968
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63830557
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 54976068
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
CID 119110866
N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
CID 113235607
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine (CID 64546221) is 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine is CCC(NCc1ncc[nH]1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The InChIKey is BZOWTKOCHKKSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-12(18-10-15-16-7-8-17-15)11-5-6-13(19-2)14(9-11)20-3/h5-9,12,18H,4,10H2,1-3H3,(H,16,17).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.67, 7 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-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 64546221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).