2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine

C17H26N2O — CID 115690242

IUPAC2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
SMILESc1cc(N2CCOCC2)ccc1CNCCC1CCC1
InChIInChI=1S/C17H26N2O/c1-2-15(3-1)8-9-18-14-16-4-6-17(7-5-16)19-10-12-20-13-11-19/h4-7,15,18H,1-3,8-14H2
InChIKeyQCKLOACLZFWBRU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds6

About 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine

2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine (PubChem CID 115690242) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
PubChem CID115690242
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
SMILESc1cc(N2CCOCC2)ccc1CNCCC1CCC1
InChIInChI=1S/C17H26N2O/c1-2-15(3-1)8-9-18-14-16-4-6-17(7-5-16)19-10-12-20-13-11-19/h4-7,15,18H,1-3,8-14H2
InChIKeyQCKLOACLZFWBRU-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182
N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-[3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 71560449
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline
CID 115690285
2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
CID 83210921
N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide
CID 102674921
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699820
N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491
2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 60732889
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine (CID 115690242) is 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine is c1cc(N2CCOCC2)ccc1CNCCC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine?
The InChIKey is QCKLOACLZFWBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-15(3-1)8-9-18-14-16-4-6-17(7-5-16)19-10-12-20-13-11-19/h4-7,15,18H,1-3,8-14H2.
What are the key properties of 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine?
2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 115690242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).