1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C15H20ClN3O — CID 114318711

IUPAC1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCn1cncc1COc1cccc(Cl)c1CNC
InChIInChI=1S/C15H20ClN3O/c1-3-7-19-11-18-8-12(19)10-20-15-6-4-5-14(16)13(15)9-17-2/h4-6,8,11,17H,3,7,9-10H2,1-2H3
InChIKeyRYVBYCWJWNDEPH-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.24
Rot. Bonds7

About 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 114318711) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID114318711
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCn1cncc1COc1cccc(Cl)c1CNC
InChIInChI=1S/C15H20ClN3O/c1-3-7-19-11-18-8-12(19)10-20-15-6-4-5-14(16)13(15)9-17-2/h4-6,8,11,17H,3,7,9-10H2,1-2H3
InChIKeyRYVBYCWJWNDEPH-UHFFFAOYSA-N
XLogP3.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107686431
1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66154177
1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 66153594
1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 113276648
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
4-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzonitrile
CID 114322780
1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999897
5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 66154570

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 114318711) is 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CCCn1cncc1COc1cccc(Cl)c1CNC.
What is the InChIKey of 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is RYVBYCWJWNDEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-7-19-11-18-8-12(19)10-20-15-6-4-5-14(16)13(15)9-17-2/h4-6,8,11,17H,3,7,9-10H2,1-2H3.
What are the key properties of 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 293.80 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114318711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).