N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine

C15H21N3O — CID 63109605

IUPACN-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(-c2ncc(CNCC(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)8-16-9-13-10-17-15(18-13)12-4-6-14(19-3)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyUESIIXRLIKGVEY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.83
Rot. Bonds6

About N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63109605) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID63109605
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(-c2ncc(CNCC(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)8-16-9-13-10-17-15(18-13)12-4-6-14(19-3)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyUESIIXRLIKGVEY-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63109614
3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463568
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 113398749
2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289482
N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177864
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109571
N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 55178244
N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109262
N-[[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82453109
N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 78925500
[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-1H-imidazol-5-yl]methanol
CID 135265594
2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109581

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (CID 63109605) is N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine is COc1ccc(-c2ncc(CNCC(C)C)[nH]2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UESIIXRLIKGVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)8-16-9-13-10-17-15(18-13)12-4-6-14(19-3)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63109605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).