N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine

C15H23NO2 — CID 114199443

IUPACN-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Oc2cccc(C)c2C)CC1
InChIInChI=1S/C15H23NO2/c1-12-5-4-6-14(13(12)2)18-15(7-8-15)11-16-9-10-17-3/h4-6,16H,7-11H2,1-3H3
InChIKeyKKQXJZZTABVREQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.45
Rot. Bonds7

About N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine

N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 114199443) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID114199443
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Oc2cccc(C)c2C)CC1
InChIInChI=1S/C15H23NO2/c1-12-5-4-6-14(13(12)2)18-15(7-8-15)11-16-9-10-17-3/h4-6,16H,7-11H2,1-3H3
InChIKeyKKQXJZZTABVREQ-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
CID 114199465
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199476
N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199468
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62723981
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164625864
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
2-methoxy-N-(2-methoxyethyl)-6-methylaniline
CID 131854932
N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
CID 82339438

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine (CID 114199443) is N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1(Oc2cccc(C)c2C)CC1.
What is the InChIKey of N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is KKQXJZZTABVREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-5-4-6-14(13(12)2)18-15(7-8-15)11-16-9-10-17-3/h4-6,16H,7-11H2,1-3H3.
What are the key properties of N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114199443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).