N-[2-(2-methylphenoxy)ethyl]cycloheptanamine

C16H25NO — CID 60688107

IUPACN-[2-(2-methylphenoxy)ethyl]cycloheptanamine
SMILESCc1ccccc1OCCNC1CCCCCC1
InChIInChI=1S/C16H25NO/c1-14-8-6-7-11-16(14)18-13-12-17-15-9-4-2-3-5-10-15/h6-8,11,15,17H,2-5,9-10,12-13H2,1H3
InChIKeyDWQLRNHVLYJUCL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(2-methylphenoxy)ethyl]cycloheptanamine

N-[2-(2-methylphenoxy)ethyl]cycloheptanamine (PubChem CID 60688107) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]cycloheptanamine
PubChem CID60688107
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(2-methylphenoxy)ethyl]cycloheptanamine
SMILESCc1ccccc1OCCNC1CCCCCC1
InChIInChI=1S/C16H25NO/c1-14-8-6-7-11-16(14)18-13-12-17-15-9-4-2-3-5-10-15/h6-8,11,15,17H,2-5,9-10,12-13H2,1H3
InChIKeyDWQLRNHVLYJUCL-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
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-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 86793837
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
CID 63506870
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
CID 39760880
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]cycloheptanamine (CID 60688107) is N-[2-(2-methylphenoxy)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]cycloheptanamine is Cc1ccccc1OCCNC1CCCCCC1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]cycloheptanamine?
The InChIKey is DWQLRNHVLYJUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-8-6-7-11-16(14)18-13-12-17-15-9-4-2-3-5-10-15/h6-8,11,15,17H,2-5,9-10,12-13H2,1H3.
What are the key properties of N-[2-(2-methylphenoxy)ethyl]cycloheptanamine?
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine has a molecular weight of 247.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]cycloheptanamine is sourced from PubChem (CID 60688107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).