N-(3-phenoxypropyl)cyclohexanamine

C15H23NO — CID 60683732

IUPACN-(3-phenoxypropyl)cyclohexanamine
SMILESc1ccc(OCCCNC2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h2,5-6,10-11,14,16H,1,3-4,7-9,12-13H2
InChIKeyMCPDLMAMUUOAAC-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.38
Rot. Bonds6

About N-(3-phenoxypropyl)cyclohexanamine

N-(3-phenoxypropyl)cyclohexanamine (PubChem CID 60683732) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(3-phenoxypropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-phenoxypropyl)cyclohexanamine
PubChem CID60683732
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(3-phenoxypropyl)cyclohexanamine
SMILESc1ccc(OCCCNC2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h2,5-6,10-11,14,16H,1,3-4,7-9,12-13H2
InChIKeyMCPDLMAMUUOAAC-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)cyclohexanamine?
The IUPAC name of N-(3-phenoxypropyl)cyclohexanamine (CID 60683732) is N-(3-phenoxypropyl)cyclohexanamine.
What is the SMILES notation for N-(3-phenoxypropyl)cyclohexanamine?
The canonical SMILES for N-(3-phenoxypropyl)cyclohexanamine is c1ccc(OCCCNC2CCCCC2)cc1.
What is the InChIKey of N-(3-phenoxypropyl)cyclohexanamine?
The InChIKey is MCPDLMAMUUOAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h2,5-6,10-11,14,16H,1,3-4,7-9,12-13H2.
What are the key properties of N-(3-phenoxypropyl)cyclohexanamine?
N-(3-phenoxypropyl)cyclohexanamine has a molecular weight of 233.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)cyclohexanamine is sourced from PubChem (CID 60683732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).