N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine

C17H27NO2 — CID 62571326

IUPACN-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
SMILESCCOc1ccc(OC(C)CNC2CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-19-16-9-11-17(12-10-16)20-14(2)13-18-15-7-5-4-6-8-15/h9-12,14-15,18H,3-8,13H2,1-2H3
InChIKeyCKZHCMLNPHHKLX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine

N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine (PubChem CID 62571326) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
PubChem CID62571326
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
SMILESCCOc1ccc(OC(C)CNC2CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-19-16-9-11-17(12-10-16)20-14(2)13-18-15-7-5-4-6-8-15/h9-12,14-15,18H,3-8,13H2,1-2H3
InChIKeyCKZHCMLNPHHKLX-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
CID 62449679
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
CID 54797698

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine (CID 62571326) is N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine is CCOc1ccc(OC(C)CNC2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine?
The InChIKey is CKZHCMLNPHHKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-19-16-9-11-17(12-10-16)20-14(2)13-18-15-7-5-4-6-8-15/h9-12,14-15,18H,3-8,13H2,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine?
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine has a molecular weight of 277.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 62571326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).