2-[morpholin-4-yl(phenyl)methyl]aniline

C17H20N2O — CID 160604739

IUPAC2-[morpholin-4-yl(phenyl)methyl]aniline
SMILESNc1ccccc1C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H20N2O/c18-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)19-10-12-20-13-11-19/h1-9,17H,10-13,18H2
InChIKeyRESOYOCGZBTWQG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.69
Rot. Bonds3

About 2-[morpholin-4-yl(phenyl)methyl]aniline

2-[morpholin-4-yl(phenyl)methyl]aniline (PubChem CID 160604739) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[morpholin-4-yl(phenyl)methyl]aniline.

Molecular Properties

Compound Name2-[morpholin-4-yl(phenyl)methyl]aniline
PubChem CID160604739
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[morpholin-4-yl(phenyl)methyl]aniline
SMILESNc1ccccc1C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H20N2O/c18-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)19-10-12-20-13-11-19/h1-9,17H,10-13,18H2
InChIKeyRESOYOCGZBTWQG-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol
CID 102327495
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline
CID 139791749
2-[(4-butylpiperazin-1-yl)-phenylmethyl]aniline
CID 20795283
4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
CID 71608225
2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol
CID 102355502
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
[2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 84750452
1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
CID 67763745
1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708

Frequently Asked Questions

What is the IUPAC name of 2-[morpholin-4-yl(phenyl)methyl]aniline?
The IUPAC name of 2-[morpholin-4-yl(phenyl)methyl]aniline (CID 160604739) is 2-[morpholin-4-yl(phenyl)methyl]aniline.
What is the SMILES notation for 2-[morpholin-4-yl(phenyl)methyl]aniline?
The canonical SMILES for 2-[morpholin-4-yl(phenyl)methyl]aniline is Nc1ccccc1C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-[morpholin-4-yl(phenyl)methyl]aniline?
The InChIKey is RESOYOCGZBTWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)19-10-12-20-13-11-19/h1-9,17H,10-13,18H2.
What are the key properties of 2-[morpholin-4-yl(phenyl)methyl]aniline?
2-[morpholin-4-yl(phenyl)methyl]aniline has a molecular weight of 268.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[morpholin-4-yl(phenyl)methyl]aniline is sourced from PubChem (CID 160604739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).