[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine

C15H21N3O3 — CID 114527174

IUPAC[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(OC)c1OCCc1nccn1C
InChIInChI=1S/C15H21N3O3/c1-18-6-5-17-14(18)4-7-21-15-12(19-2)8-11(10-16)9-13(15)20-3/h5-6,8-9H,4,7,10,16H2,1-3H3
InChIKeyKEYBFFQOOMZNNI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.52
Rot. Bonds7

About [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine

[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine (PubChem CID 114527174) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
PubChem CID114527174
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(OC)c1OCCc1nccn1C
InChIInChI=1S/C15H21N3O3/c1-18-6-5-17-14(18)4-7-21-15-12(19-2)8-11(10-16)9-13(15)20-3/h5-6,8-9H,4,7,10,16H2,1-3H3
InChIKeyKEYBFFQOOMZNNI-UHFFFAOYSA-N
XLogP1.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114526998
2-[2-[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528447
2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528422
[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528334
2-[2-[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528471
[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60878682
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63265023
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
CID 104646966
(4-methoxy-1-methylindol-6-yl)methanamine
CID 82603456
4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 114528014
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine (CID 114527174) is [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine is COc1cc(CN)cc(OC)c1OCCc1nccn1C.
What is the InChIKey of [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is KEYBFFQOOMZNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18-6-5-17-14(18)4-7-21-15-12(19-2)8-11(10-16)9-13(15)20-3/h5-6,8-9H,4,7,10,16H2,1-3H3.
What are the key properties of [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 291.35 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 114527174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).