N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine

C15H22BrNO — CID 55093327

IUPACN-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCOc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrNO/c1-12-6-8-13(9-7-12)17-10-11-18-15-5-3-2-4-14(15)16/h2-5,12-13,17H,6-11H2,1H3
InChIKeyKEPITHRMPUZRHY-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine

N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 55093327) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
PubChem CID55093327
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCOc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrNO/c1-12-6-8-13(9-7-12)17-10-11-18-15-5-3-2-4-14(15)16/h2-5,12-13,17H,6-11H2,1H3
InChIKeyKEPITHRMPUZRHY-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.00
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-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine
CID 63507013
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[2-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine (CID 55093327) is N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine is CC1CCC(NCCOc2ccccc2Br)CC1.
What is the InChIKey of N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is KEPITHRMPUZRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12-6-8-13(9-7-12)17-10-11-18-15-5-3-2-4-14(15)16/h2-5,12-13,17H,6-11H2,1H3.
What are the key properties of N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine?
N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55093327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).