N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine

C17H27NO — CID 63517327

IUPACN-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
SMILESCc1cc(C)c(OCCNC2CCCCC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-13-11-14(2)17(15(3)12-13)19-10-9-18-16-7-5-4-6-8-16/h11-12,16,18H,4-10H2,1-3H3
InChIKeyLBZGOFTVMWHRAA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine

N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine (PubChem CID 63517327) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
PubChem CID63517327
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
SMILESCc1cc(C)c(OCCNC2CCCCC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-13-11-14(2)17(15(3)12-13)19-10-9-18-16-7-5-4-6-8-16/h11-12,16,18H,4-10H2,1-3H3
InChIKeyLBZGOFTVMWHRAA-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.91
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-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
CID 55181878
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
CID 39760880
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
CID 98017013
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 63506543

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine (CID 63517327) is N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine is Cc1cc(C)c(OCCNC2CCCCC2)c(C)c1.
What is the InChIKey of N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine?
The InChIKey is LBZGOFTVMWHRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-11-14(2)17(15(3)12-13)19-10-9-18-16-7-5-4-6-8-16/h11-12,16,18H,4-10H2,1-3H3.
What are the key properties of N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine?
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine has a molecular weight of 261.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine is sourced from PubChem (CID 63517327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).