1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine

C16H22ClN3O — CID 66154177

IUPAC1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCCCn1cncc1COc1ccc(Cl)cc1C(C)NC
InChIInChI=1S/C16H22ClN3O/c1-4-7-20-11-19-9-14(20)10-21-16-6-5-13(17)8-15(16)12(2)18-3/h5-6,8-9,11-12,18H,4,7,10H2,1-3H3
InChIKeyZTTBHRSAFBPOFF-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.81
Rot. Bonds7

About 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine

1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine (PubChem CID 66154177) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
PubChem CID66154177
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCCCn1cncc1COc1ccc(Cl)cc1C(C)NC
InChIInChI=1S/C16H22ClN3O/c1-4-7-20-11-19-9-14(20)10-21-16-6-5-13(17)8-15(16)12(2)18-3/h5-6,8-9,11-12,18H,4,7,10H2,1-3H3
InChIKeyZTTBHRSAFBPOFF-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 66154570
4-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzonitrile
CID 114322780
1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107686431
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318711
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 104796252
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 102947375
1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66152678
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine (CID 66154177) is 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine is CCCn1cncc1COc1ccc(Cl)cc1C(C)NC.
What is the InChIKey of 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is ZTTBHRSAFBPOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-7-20-11-19-9-14(20)10-21-16-6-5-13(17)8-15(16)12(2)18-3/h5-6,8-9,11-12,18H,4,7,10H2,1-3H3.
What are the key properties of 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 307.83 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 66154177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).