N-(2-phenoxyethyl)cyclohexanamine

C14H21NO — CID 46835311

IUPACN-(2-phenoxyethyl)cyclohexanamine
SMILESc1ccc(OCCNC2CCCCC2)cc1
InChIInChI=1S/C14H21NO/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2
InChIKeyLJWODBZLDRMCBM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.99
Rot. Bonds5

About N-(2-phenoxyethyl)cyclohexanamine

N-(2-phenoxyethyl)cyclohexanamine (PubChem CID 46835311) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-phenoxyethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)cyclohexanamine
PubChem CID46835311
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2-phenoxyethyl)cyclohexanamine
SMILESc1ccc(OCCNC2CCCCC2)cc1
InChIInChI=1S/C14H21NO/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2
InChIKeyLJWODBZLDRMCBM-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.99
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

Viloxazine
CID 5666
Domiphen Bromide
CID 10866
2-(4-Phenoxyphenoxy)ethanamine
CID 11031651
H-9/64
CID 3123920
N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium
CID 3149
2-Phenoxyethanamine
CID 15651
Methyl(2-phenoxyethyl)amine
CID 37732
1-Phenoxy-2-propanamine
CID 37087
1-(4-Phenoxybutyl)piperidine
CID 2057411
Butamoxan
CID 20504
4-Phenoxypiperidine
CID 18878
Methyl(3-phenoxypropyl)amine
CID 22067856

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)cyclohexanamine?
The IUPAC name of N-(2-phenoxyethyl)cyclohexanamine (CID 46835311) is N-(2-phenoxyethyl)cyclohexanamine.
What is the SMILES notation for N-(2-phenoxyethyl)cyclohexanamine?
The canonical SMILES for N-(2-phenoxyethyl)cyclohexanamine is c1ccc(OCCNC2CCCCC2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)cyclohexanamine?
The InChIKey is LJWODBZLDRMCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2.
What are the key properties of N-(2-phenoxyethyl)cyclohexanamine?
N-(2-phenoxyethyl)cyclohexanamine has a molecular weight of 219.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)cyclohexanamine is sourced from PubChem (CID 46835311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).