[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine

C15H19N3O2 — CID 66153666

IUPAC[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1cncn1C1CC1
InChIInChI=1S/C15H19N3O2/c1-19-15-6-11(7-16)2-5-14(15)20-9-13-8-17-10-18(13)12-3-4-12/h2,5-6,8,10,12H,3-4,7,9,16H2,1H3
InChIKeyPRTSHGFPUDSGAQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.26
Rot. Bonds6

About [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine

[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 66153666) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID66153666
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1cncn1C1CC1
InChIInChI=1S/C15H19N3O2/c1-19-15-6-11(7-16)2-5-14(15)20-9-13-8-17-10-18(13)12-3-4-12/h2,5-6,8,10,12H,3-4,7,9,16H2,1H3
InChIKeyPRTSHGFPUDSGAQ-UHFFFAOYSA-N
XLogP2.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[5-chloro-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154464
1-cyclopropyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole
CID 66148013
3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one
CID 62929043
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66141104
[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine
CID 60878684
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640286
[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60878682
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 64801160
[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine
CID 65364711

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine (CID 66153666) is [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1OCc1cncn1C1CC1.
What is the InChIKey of [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is PRTSHGFPUDSGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-15-6-11(7-16)2-5-14(15)20-9-13-8-17-10-18(13)12-3-4-12/h2,5-6,8,10,12H,3-4,7,9,16H2,1H3.
What are the key properties of [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine?
[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 66153666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).