N-benzyl-2-(morpholin-4-ylmethyl)aniline

C18H22N2O — CID 56787279

IUPACN-benzyl-2-(morpholin-4-ylmethyl)aniline
SMILESc1ccc(CNc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)14-19-18-9-5-4-8-17(18)15-20-10-12-21-13-11-20/h1-9,19H,10-15H2
InChIKeyCFSNDMMKKXRKKH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.13
Rot. Bonds5

About N-benzyl-2-(morpholin-4-ylmethyl)aniline

N-benzyl-2-(morpholin-4-ylmethyl)aniline (PubChem CID 56787279) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-2-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-benzyl-2-(morpholin-4-ylmethyl)aniline
PubChem CID56787279
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-benzyl-2-(morpholin-4-ylmethyl)aniline
SMILESc1ccc(CNc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)14-19-18-9-5-4-8-17(18)15-20-10-12-21-13-11-20/h1-9,19H,10-15H2
InChIKeyCFSNDMMKKXRKKH-UHFFFAOYSA-N
XLogP3.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)aniline;2,2,2-trifluoroacetic acid
CID 154885495
2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 55917812
CID 131887032
CID 131887032
2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile
CID 8569009
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylmethoxyacetamide
CID 134015077
N-benzyl-3-chloro-2-morpholin-4-ylaniline
CID 91674334
2-[2-(morpholin-4-ylmethyl)anilino]-N-phenyl-N-propan-2-ylacetamide
CID 55918198
N-benzyl-2-(chloromethyl)aniline
CID 15078992
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 131931531
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N-benzyl-2-(morpholin-4-ylmethyl)aniline (CID 56787279) is N-benzyl-2-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N-benzyl-2-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N-benzyl-2-(morpholin-4-ylmethyl)aniline is c1ccc(CNc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of N-benzyl-2-(morpholin-4-ylmethyl)aniline?
The InChIKey is CFSNDMMKKXRKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-16(7-3-1)14-19-18-9-5-4-8-17(18)15-20-10-12-21-13-11-20/h1-9,19H,10-15H2.
What are the key properties of N-benzyl-2-(morpholin-4-ylmethyl)aniline?
N-benzyl-2-(morpholin-4-ylmethyl)aniline has a molecular weight of 282.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 56787279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).