N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine

C30H28N2O — CID 86670013

IUPACN-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
SMILESc1ccc(CN2CCOC(c3ccc(N=C(c4ccccc4)c4ccccc4)cc3)C2)cc1
InChIInChI=1S/C30H28N2O/c1-4-10-24(11-5-1)22-32-20-21-33-29(23-32)25-16-18-28(19-17-25)31-30(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,29H,20-23H2
InChIKeyBYHWOMFXNSFARS-UHFFFAOYSA-N
MW432.57 g/mol
LogP6.43
Rot. Bonds6

About N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine

N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine (PubChem CID 86670013) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
PubChem CID86670013
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC NameN-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
SMILESc1ccc(CN2CCOC(c3ccc(N=C(c4ccccc4)c4ccccc4)cc3)C2)cc1
InChIInChI=1S/C30H28N2O/c1-4-10-24(11-5-1)22-32-20-21-33-29(23-32)25-16-18-28(19-17-25)31-30(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,29H,20-23H2
InChIKeyBYHWOMFXNSFARS-UHFFFAOYSA-N
XLogP6.43
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine
CID 66654478
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine
CID 67032467
N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine
CID 101258821
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-benzyl-2-[4-(2-chlorophenyl)sulfonylphenyl]morpholine;4-benzyl-2-[4-(2,6-dichlorophenyl)sulfonylphenyl]morpholine
CID 172795618
4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine
CID 66653794
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
(2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine
CID 160875718

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine (CID 86670013) is N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine is c1ccc(CN2CCOC(c3ccc(N=C(c4ccccc4)c4ccccc4)cc3)C2)cc1.
What is the InChIKey of N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine?
The InChIKey is BYHWOMFXNSFARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O/c1-4-10-24(11-5-1)22-32-20-21-33-29(23-32)25-16-18-28(19-17-25)31-30(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,29H,20-23H2.
What are the key properties of N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine?
N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine has a molecular weight of 432.57 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 86670013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).