N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine

C17H27NO2 — CID 107668685

IUPACN-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
SMILESCCc1ccc(OCCNC2CCCCC2)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-14-9-10-16(17(13-14)19-2)20-12-11-18-15-7-5-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3
InChIKeyMGOIQLHTDLFLLP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.56
Rot. Bonds7

About N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine

N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine (PubChem CID 107668685) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
PubChem CID107668685
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
SMILESCCc1ccc(OCCNC2CCCCC2)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-14-9-10-16(17(13-14)19-2)20-12-11-18-15-7-5-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3
InChIKeyMGOIQLHTDLFLLP-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.56
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-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine
CID 107664429
N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
CID 2199602
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
CID 107668654
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine
CID 107664408
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine (CID 107668685) is N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine is CCc1ccc(OCCNC2CCCCC2)c(OC)c1.
What is the InChIKey of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine?
The InChIKey is MGOIQLHTDLFLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-14-9-10-16(17(13-14)19-2)20-12-11-18-15-7-5-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3.
What are the key properties of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine?
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine has a molecular weight of 277.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine is sourced from PubChem (CID 107668685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).