N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine

C17H27NO2 — CID 43634729

IUPACN-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCOCCOCCCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C17H27NO2/c1-14-6-3-4-7-17(14)15-12-16(13-15)18-8-5-9-20-11-10-19-2/h3-4,6-7,15-16,18H,5,8-13H2,1-2H3
InChIKeyMMTSZWBEPCSLLZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.88
Rot. Bonds9

About N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine

N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 43634729) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID43634729
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCOCCOCCCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C17H27NO2/c1-14-6-3-4-7-17(14)15-12-16(13-15)18-8-5-9-20-11-10-19-2/h3-4,6-7,15-16,18H,5,8-13H2,1-2H3
InChIKeyMMTSZWBEPCSLLZ-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.88
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

N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82941727
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 107094222
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43633919
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81300282
N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 113384097

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine (CID 43634729) is N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine is COCCOCCCNC1CC(c2ccccc2C)C1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is MMTSZWBEPCSLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-6-3-4-7-17(14)15-12-16(13-15)18-8-5-9-20-11-10-19-2/h3-4,6-7,15-16,18H,5,8-13H2,1-2H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine?
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43634729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).