N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine

C16H25NO2 — CID 62565943

IUPACN-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
SMILESCOc1cccc(COCCNC2CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-18-16-9-5-6-14(12-16)13-19-11-10-17-15-7-3-2-4-8-15/h5-6,9,12,15,17H,2-4,7-8,10-11,13H2,1H3
InChIKeyUPGOIYXKIMXARE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine

N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine (PubChem CID 62565943) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
PubChem CID62565943
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
SMILESCOc1cccc(COCCNC2CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-18-16-9-5-6-14(12-16)13-19-11-10-17-15-7-3-2-4-8-15/h5-6,9,12,15,17H,2-4,7-8,10-11,13H2,1H3
InChIKeyUPGOIYXKIMXARE-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
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

N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125325
1-(cyclopropylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 43090645
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine (CID 62565943) is N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine is COc1cccc(COCCNC2CCCCC2)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine?
The InChIKey is UPGOIYXKIMXARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-18-16-9-5-6-14(12-16)13-19-11-10-17-15-7-3-2-4-8-15/h5-6,9,12,15,17H,2-4,7-8,10-11,13H2,1H3.
What are the key properties of N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine?
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine is sourced from PubChem (CID 62565943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).