N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine

C15H23NO — CID 97179093

IUPACN-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
SMILESCCOc1c(C)cccc1CNC1CCCC1
InChIInChI=1S/C15H23NO/c1-3-17-15-12(2)7-6-8-13(15)11-16-14-9-4-5-10-14/h6-8,14,16H,3-5,9-11H2,1-2H3
InChIKeyBEYOXRATUUJHTM-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.43
Rot. Bonds5

About N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine

N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine (PubChem CID 97179093) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
PubChem CID97179093
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
SMILESCCOc1c(C)cccc1CNC1CCCC1
InChIInChI=1S/C15H23NO/c1-3-17-15-12(2)7-6-8-13(15)11-16-14-9-4-5-10-14/h6-8,14,16H,3-5,9-11H2,1-2H3
InChIKeyBEYOXRATUUJHTM-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610024
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17054688
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
CID 115953954

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine (CID 97179093) is N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine is CCOc1c(C)cccc1CNC1CCCC1.
What is the InChIKey of N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine?
The InChIKey is BEYOXRATUUJHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-17-15-12(2)7-6-8-13(15)11-16-14-9-4-5-10-14/h6-8,14,16H,3-5,9-11H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine?
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine has a molecular weight of 233.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 97179093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).