3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine

C16H23ClN2O — CID 79083029

IUPAC3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCOC(CNC2CC(c3cccc(Cl)c3)C2)C1
InChIInChI=1S/C16H23ClN2O/c1-19-5-6-20-16(11-19)10-18-15-8-13(9-15)12-3-2-4-14(17)7-12/h2-4,7,13,15-16,18H,5-6,8-11H2,1H3
InChIKeyYHVFBPWCXNTBDB-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.51
Rot. Bonds4

About 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine

3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine (PubChem CID 79083029) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
PubChem CID79083029
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCOC(CNC2CC(c3cccc(Cl)c3)C2)C1
InChIInChI=1S/C16H23ClN2O/c1-19-5-6-20-16(11-19)10-18-15-8-13(9-15)12-3-2-4-14(17)7-12/h2-4,7,13,15-16,18H,5-6,8-11H2,1H3
InChIKeyYHVFBPWCXNTBDB-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79082739
(2R)-2-(3-chlorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]propan-1-amine
CID 99824434
N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
CID 83993474
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133281000
2-(3-chlorophenyl)-3-[(4-methylmorpholin-2-yl)methyl]imidazolidin-4-one
CID 83268879
3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856760
3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634506
3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79083040
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
CID 65103831
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
N-[3-(3-chlorophenyl)cyclobutyl]-N',N'-diethylethane-1,2-diamine
CID 43633399

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine (CID 79083029) is 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine is CN1CCOC(CNC2CC(c3cccc(Cl)c3)C2)C1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is YHVFBPWCXNTBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-19-5-6-20-16(11-19)10-18-15-8-13(9-15)12-3-2-4-14(17)7-12/h2-4,7,13,15-16,18H,5-6,8-11H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine?
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 294.83 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79083029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).