3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine

C17H27NO — CID 82941727

IUPAC3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
SMILESCCCOCCCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C17H27NO/c1-3-10-19-11-6-9-18-16-12-15(13-16)17-8-5-4-7-14(17)2/h4-5,7-8,15-16,18H,3,6,9-13H2,1-2H3
InChIKeyJJIQAAUAYRLURN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds8

About 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine

3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine (PubChem CID 82941727) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
PubChem CID82941727
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
SMILESCCCOCCCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C17H27NO/c1-3-10-19-11-6-9-18-16-12-15(13-16)17-8-5-4-7-14(17)2/h4-5,7-8,15-16,18H,3,6,9-13H2,1-2H3
InChIKeyJJIQAAUAYRLURN-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.65
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-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
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-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43633919
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 63726468
N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 113384097
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine (CID 82941727) is 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine is CCCOCCCNC1CC(c2ccccc2C)C1.
What is the InChIKey of 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine?
The InChIKey is JJIQAAUAYRLURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-10-19-11-6-9-18-16-12-15(13-16)17-8-5-4-7-14(17)2/h4-5,7-8,15-16,18H,3,6,9-13H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine?
3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine is sourced from PubChem (CID 82941727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).