N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine

C17H25N3O — CID 65443435

IUPACN-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(CCn2c(CNC(C)C)cnc2C)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)18-11-16-12-19-14(3)20(16)10-9-15-5-7-17(21-4)8-6-15/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeyIKKQNYQVJJYBHP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds7

About N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine

N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine (PubChem CID 65443435) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
PubChem CID65443435
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(CCn2c(CNC(C)C)cnc2C)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)18-11-16-12-19-14(3)20(16)10-9-15-5-7-17(21-4)8-6-15/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeyIKKQNYQVJJYBHP-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172221
5-bromo-3-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-one
CID 66310934
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107888054
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate
CID 7112669
4-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 90979962
N-[[3-(1,3-benzothiazol-2-ylmethyl)-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 104632164
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107310259
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82424083

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine (CID 65443435) is N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine is COc1ccc(CCn2c(CNC(C)C)cnc2C)cc1.
What is the InChIKey of N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
The InChIKey is IKKQNYQVJJYBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)18-11-16-12-19-14(3)20(16)10-9-15-5-7-17(21-4)8-6-15/h5-8,12-13,18H,9-11H2,1-4H3.
What are the key properties of N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65443435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).