1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C15H19N3O — CID 66154635

IUPAC1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCc1cncn1C1CC1
InChIInChI=1S/C15H19N3O/c1-16-8-12-4-2-3-5-15(12)19-10-14-9-17-11-18(14)13-6-7-13/h2-5,9,11,13,16H,6-8,10H2,1H3
InChIKeyWQYFSSUHRKRTMX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.52
Rot. Bonds6

About 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 66154635) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID66154635
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCc1cncn1C1CC1
InChIInChI=1S/C15H19N3O/c1-16-8-12-4-2-3-5-15(12)19-10-14-9-17-11-18(14)13-6-7-13/h2-5,9,11,13,16H,6-8,10H2,1H3
InChIKeyWQYFSSUHRKRTMX-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 66154635) is 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCc1cncn1C1CC1.
What is the InChIKey of 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is WQYFSSUHRKRTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-8-12-4-2-3-5-15(12)19-10-14-9-17-11-18(14)13-6-7-13/h2-5,9,11,13,16H,6-8,10H2,1H3.
What are the key properties of 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 66154635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).