N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine

C17H27NO2 — CID 62584741

IUPACN-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
SMILESCCOc1cccc(OC(C)CNC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-3-19-16-10-7-11-17(12-16)20-14(2)13-18-15-8-5-4-6-9-15/h7,10-12,14-15,18H,3-6,8-9,13H2,1-2H3
InChIKeyNIRULFYQVVOQLT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine

N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine (PubChem CID 62584741) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
PubChem CID62584741
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
SMILESCCOc1cccc(OC(C)CNC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-3-19-16-10-7-11-17(12-16)20-14(2)13-18-15-8-5-4-6-9-15/h7,10-12,14-15,18H,3-6,8-9,13H2,1-2H3
InChIKeyNIRULFYQVVOQLT-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-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline
CID 62583584
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
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-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 55073189
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
CID 170000859
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
CID 54797698

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine (CID 62584741) is N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine is CCOc1cccc(OC(C)CNC2CCCCC2)c1.
What is the InChIKey of N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine?
The InChIKey is NIRULFYQVVOQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-19-16-10-7-11-17(12-16)20-14(2)13-18-15-8-5-4-6-9-15/h7,10-12,14-15,18H,3-6,8-9,13H2,1-2H3.
What are the key properties of N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine?
N-[2-(3-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-(3-ethoxyphenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 62584741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).