4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine

C16H23N3O — CID 63002181

IUPAC4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2nccn2C)cc1
InChIInChI=1S/C16H23N3O/c1-13(18-12-16-17-10-11-19(16)2)4-5-14-6-8-15(20-3)9-7-14/h6-11,13,18H,4-5,12H2,1-3H3
InChIKeyWGOSMGSFBPJMMU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine

4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine (PubChem CID 63002181) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
PubChem CID63002181
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2nccn2C)cc1
InChIInChI=1S/C16H23N3O/c1-13(18-12-16-17-10-11-19(16)2)4-5-14-6-8-15(20-3)9-7-14/h6-11,13,18H,4-5,12H2,1-3H3
InChIKeyWGOSMGSFBPJMMU-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75484161
2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 60697211
4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine
CID 106414728
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine (CID 63002181) is 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine is COc1ccc(CCC(C)NCc2nccn2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine?
The InChIKey is WGOSMGSFBPJMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(18-12-16-17-10-11-19(16)2)4-5-14-6-8-15(20-3)9-7-14/h6-11,13,18H,4-5,12H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine?
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 63002181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).