N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine

C17H23N3O — CID 43734305

IUPACN-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCOc1ccccc1CNC1CCCC1n1ccnc1
InChIInChI=1S/C17H23N3O/c1-2-21-17-9-4-3-6-14(17)12-19-15-7-5-8-16(15)20-11-10-18-13-20/h3-4,6,9-11,13,15-16,19H,2,5,7-8,12H2,1H3
InChIKeyJBJVBTISUTUNHK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine

N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 43734305) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID43734305
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCOc1ccccc1CNC1CCCC1n1ccnc1
InChIInChI=1S/C17H23N3O/c1-2-21-17-9-4-3-6-14(17)12-19-15-7-5-8-16(15)20-11-10-18-13-20/h3-4,6,9-11,13,15-16,19H,2,5,7-8,12H2,1H3
InChIKeyJBJVBTISUTUNHK-UHFFFAOYSA-N
XLogP3.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine (CID 43734305) is N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine is CCOc1ccccc1CNC1CCCC1n1ccnc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is JBJVBTISUTUNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-21-17-9-4-3-6-14(17)12-19-15-7-5-8-16(15)20-11-10-18-13-20/h3-4,6,9-11,13,15-16,19H,2,5,7-8,12H2,1H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 43734305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).