2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

C16H23N3O — CID 107443923

IUPAC2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCOc1ccccc1Cn1cncc1C(CN)C(C)C
InChIInChI=1S/C16H23N3O/c1-12(2)14(8-17)15-9-18-11-19(15)10-13-6-4-5-7-16(13)20-3/h4-7,9,11-12,14H,8,10,17H2,1-3H3
InChIKeyLJARBAGEMPZCFS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.64
Rot. Bonds6

About 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 107443923) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID107443923
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCOc1ccccc1Cn1cncc1C(CN)C(C)C
InChIInChI=1S/C16H23N3O/c1-12(2)14(8-17)15-9-18-11-19(15)10-13-6-4-5-7-16(13)20-3/h4-7,9,11-12,14H,8,10,17H2,1-3H3
InChIKeyLJARBAGEMPZCFS-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443913
1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 106261741
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 114703081
[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716681
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
2-[3-(3-chloro-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443926
3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114716675
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (CID 107443923) is 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is COc1ccccc1Cn1cncc1C(CN)C(C)C.
What is the InChIKey of 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is LJARBAGEMPZCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)14(8-17)15-9-18-11-19(15)10-13-6-4-5-7-16(13)20-3/h4-7,9,11-12,14H,8,10,17H2,1-3H3.
What are the key properties of 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).