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

C17H27NO — CID 54797687

IUPACN-[2-(4-ethylphenoxy)propyl]cyclohexanamine
SMILESCCc1ccc(OC(C)CNC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-15-9-11-17(12-10-15)19-14(2)13-18-16-7-5-4-6-8-16/h9-12,14,16,18H,3-8,13H2,1-2H3
InChIKeyVEAFDXKRUNODSL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds6

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

N-[2-(4-ethylphenoxy)propyl]cyclohexanamine (PubChem CID 54797687) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)propyl]cyclohexanamine
PubChem CID54797687
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(4-ethylphenoxy)propyl]cyclohexanamine
SMILESCCc1ccc(OC(C)CNC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-15-9-11-17(12-10-15)19-14(2)13-18-16-7-5-4-6-8-16/h9-12,14,16,18H,3-8,13H2,1-2H3
InChIKeyVEAFDXKRUNODSL-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
CID 70674125
2-(4-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(4-ethylphenoxy)propyl]cyclohexanamine (CID 54797687) is N-[2-(4-ethylphenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-ethylphenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-ethylphenoxy)propyl]cyclohexanamine is CCc1ccc(OC(C)CNC2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)propyl]cyclohexanamine?
The InChIKey is VEAFDXKRUNODSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-15-9-11-17(12-10-15)19-14(2)13-18-16-7-5-4-6-8-16/h9-12,14,16,18H,3-8,13H2,1-2H3.
What are the key properties of N-[2-(4-ethylphenoxy)propyl]cyclohexanamine?
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 54797687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).