1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

C16H23N3O — CID 106791871

IUPAC1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1ccc(C)cc1OC
InChIInChI=1S/C16H23N3O/c1-5-9-19-10-8-18-16(19)15(17-3)13-7-6-12(2)11-14(13)20-4/h6-8,10-11,15,17H,5,9H2,1-4H3
InChIKeyFJNBVPDSJPCCNI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds6

About 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 106791871) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
PubChem CID106791871
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1ccc(C)cc1OC
InChIInChI=1S/C16H23N3O/c1-5-9-19-10-8-18-16(19)15(17-3)13-7-6-12(2)11-14(13)20-4/h6-8,10-11,15,17H,5,9H2,1-4H3
InChIKeyFJNBVPDSJPCCNI-UHFFFAOYSA-N
XLogP2.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61319375
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317535
N-[(3-methoxy-4-pyridinyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 105064357
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317941
N-methyl-1-(1-propylimidazol-2-yl)-1-pyridin-3-ylmethanamine
CID 61318146
(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 106791541
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 61319379
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106792054
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65152000

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (CID 106791871) is 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(NC)c1ccc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is FJNBVPDSJPCCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-9-19-10-8-18-16(19)15(17-3)13-7-6-12(2)11-14(13)20-4/h6-8,10-11,15,17H,5,9H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 106791871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).