2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine

C17H27NO2 — CID 104662480

IUPAC2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccccc1OCCOC
InChIInChI=1S/C17H27NO2/c1-18-16-10-5-3-4-8-14(16)15-9-6-7-11-17(15)20-13-12-19-2/h6-7,9,11,14,16,18H,3-5,8,10,12-13H2,1-2H3
InChIKeyCWGMERWIJYSCSJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.35
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine

2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine (PubChem CID 104662480) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine
PubChem CID104662480
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccccc1OCCOC
InChIInChI=1S/C17H27NO2/c1-18-16-10-5-3-4-8-14(16)15-9-6-7-11-17(15)20-13-12-19-2/h6-7,9,11,14,16,18H,3-5,8,10,12-13H2,1-2H3
InChIKeyCWGMERWIJYSCSJ-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 104662423
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
CID 104663479
2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479
2-[2-(2-methoxyethoxy)phenyl]piperidine
CID 104662497
1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene
CID 104662885
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
1-bromo-3-[2-(2-methoxyethoxy)phenyl]cycloheptane
CID 113438552
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol
CID 54125386
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine
CID 104663423
4-[2-(2-methoxyethoxy)phenyl]piperidine;hydrochloride
CID 163359265

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine (CID 104662480) is 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine is CNC1CCCCCC1c1ccccc1OCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine?
The InChIKey is CWGMERWIJYSCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18-16-10-5-3-4-8-14(16)15-9-6-7-11-17(15)20-13-12-19-2/h6-7,9,11,14,16,18H,3-5,8,10,12-13H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine?
2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 104662480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).