3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine

C17H26N2O — CID 43633758

IUPAC3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCN3CCOCC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-14-3-2-4-15(11-14)16-12-17(13-16)18-5-6-19-7-9-20-10-8-19/h2-4,11,16-18H,5-10,12-13H2,1H3
InChIKeyRUQBTGCKGZWHOK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.16
Rot. Bonds5

About 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine

3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine (PubChem CID 43633758) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
PubChem CID43633758
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCN3CCOCC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-14-3-2-4-15(11-14)16-12-17(13-16)18-5-6-19-7-9-20-10-8-19/h2-4,11,16-18H,5-10,12-13H2,1H3
InChIKeyRUQBTGCKGZWHOK-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633757
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633750
3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104530160
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
CID 54931849
N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104528153
N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide
CID 104526953
N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61240000
N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 61211081
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine (CID 43633758) is 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine is Cc1cccc(C2CC(NCCN3CCOCC3)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine?
The InChIKey is RUQBTGCKGZWHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-3-2-4-15(11-14)16-12-17(13-16)18-5-6-19-7-9-20-10-8-19/h2-4,11,16-18H,5-10,12-13H2,1H3.
What are the key properties of 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine?
3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 43633758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).