2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine

C17H19N3O — CID 78975055

IUPAC2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
SMILESCOc1ccc(CNCCn2ccnc2)c2ccccc12
InChIInChI=1S/C17H19N3O/c1-21-17-7-6-14(15-4-2-3-5-16(15)17)12-18-8-10-20-11-9-19-13-20/h2-7,9,11,13,18H,8,10,12H2,1H3
InChIKeyYPYSTCSDLHWZOX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.83
Rot. Bonds6

About 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine

2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine (PubChem CID 78975055) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
PubChem CID78975055
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
SMILESCOc1ccc(CNCCn2ccnc2)c2ccccc12
InChIInChI=1S/C17H19N3O/c1-21-17-7-6-14(15-4-2-3-5-16(15)17)12-18-8-10-20-11-9-19-13-20/h2-7,9,11,13,18H,8,10,12H2,1H3
InChIKeyYPYSTCSDLHWZOX-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155511
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-imidazol-1-ylethanamine
CID 35591627
3-[(4-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 78974976
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 54848998
4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
CID 61069061
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 47629504
2-[(2-imidazol-1-ylethylamino)methyl]benzonitrile
CID 60695143
2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66413704
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936698
1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 61463199

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine (CID 78975055) is 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine is COc1ccc(CNCCn2ccnc2)c2ccccc12.
What is the InChIKey of 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine?
The InChIKey is YPYSTCSDLHWZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-17-7-6-14(15-4-2-3-5-16(15)17)12-18-8-10-20-11-9-19-13-20/h2-7,9,11,13,18H,8,10,12H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine?
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 78975055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).