N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine

C15H21N3O — CID 119126131

IUPACN-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C(C)(C)CNCc2ncc[nH]2)cc1
InChIInChI=1S/C15H21N3O/c1-15(2,11-16-10-14-17-8-9-18-14)12-4-6-13(19-3)7-5-12/h4-9,16H,10-11H2,1-3H3,(H,17,18)
InChIKeyQFWJAJJHAICGDH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.49
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine

N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine (PubChem CID 119126131) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine
PubChem CID119126131
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C(C)(C)CNCc2ncc[nH]2)cc1
InChIInChI=1S/C15H21N3O/c1-15(2,11-16-10-14-17-8-9-18-14)12-4-6-13(19-3)7-5-12/h4-9,16H,10-11H2,1-3H3,(H,17,18)
InChIKeyQFWJAJJHAICGDH-UHFFFAOYSA-N
XLogP2.49
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119126147
N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102610018
2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119126099
1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 112748930
1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63001959
N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine
CID 114600639
N-(1H-imidazol-2-ylmethyl)-2,4-dimethoxyaniline
CID 54976157
2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
CID 115694922
1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine
CID 119111600
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667035
1-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257119
N-(1H-imidazol-2-ylmethyl)-4-methoxy-2-nitroaniline
CID 54976268

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine (CID 119126131) is N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine is COc1ccc(C(C)(C)CNCc2ncc[nH]2)cc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is QFWJAJJHAICGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,11-16-10-14-17-8-9-18-14)12-4-6-13(19-3)7-5-12/h4-9,16H,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine?
N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 119126131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).