N-[3-(3-ethylphenoxy)propyl]cyclohexanamine

C17H27NO — CID 62598986

IUPACN-[3-(3-ethylphenoxy)propyl]cyclohexanamine
SMILESCCc1cccc(OCCCNC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-15-8-6-11-17(14-15)19-13-7-12-18-16-9-4-3-5-10-16/h6,8,11,14,16,18H,2-5,7,9-10,12-13H2,1H3
InChIKeyDKXWDCSFSPZNOY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds7

About N-[3-(3-ethylphenoxy)propyl]cyclohexanamine

N-[3-(3-ethylphenoxy)propyl]cyclohexanamine (PubChem CID 62598986) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[3-(3-ethylphenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(3-ethylphenoxy)propyl]cyclohexanamine
PubChem CID62598986
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[3-(3-ethylphenoxy)propyl]cyclohexanamine
SMILESCCc1cccc(OCCCNC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-15-8-6-11-17(14-15)19-13-7-12-18-16-9-4-3-5-10-16/h6,8,11,14,16,18H,2-5,7,9-10,12-13H2,1H3
InChIKeyDKXWDCSFSPZNOY-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3-ethylphenoxy)propyl]cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
(3-ethylphenoxy)cyclooctane
CID 91220327
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[2-(3-methylsulfonylphenoxy)ethyl]cycloheptanamine
CID 62583799
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethylphenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[3-(3-ethylphenoxy)propyl]cyclohexanamine (CID 62598986) is N-[3-(3-ethylphenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(3-ethylphenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(3-ethylphenoxy)propyl]cyclohexanamine is CCc1cccc(OCCCNC2CCCCC2)c1.
What is the InChIKey of N-[3-(3-ethylphenoxy)propyl]cyclohexanamine?
The InChIKey is DKXWDCSFSPZNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-15-8-6-11-17(14-15)19-13-7-12-18-16-9-4-3-5-10-16/h6,8,11,14,16,18H,2-5,7,9-10,12-13H2,1H3.
What are the key properties of N-[3-(3-ethylphenoxy)propyl]cyclohexanamine?
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethylphenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 62598986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).