5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine

C28H27N3O — CID 44573577

IUPAC5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine
SMILESc1ccc(-c2ccc(Nc3ccc(CN4CCO[C@@H](c5ccccc5)C4)cn3)cc2)cc1
InChIInChI=1S/C28H27N3O/c1-3-7-23(8-4-1)24-12-14-26(15-13-24)30-28-16-11-22(19-29-28)20-31-17-18-32-27(21-31)25-9-5-2-6-10-25/h1-16,19,27H,17-18,20-21H2,(H,29,30)/t27-/m1/s1
InChIKeyXDIHBXHIHGKJEY-HHHXNRCGSA-N
MW421.54 g/mol
LogP6.07
Rot. Bonds6

About 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine

5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine (PubChem CID 44573577) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine
PubChem CID44573577
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine
SMILESc1ccc(-c2ccc(Nc3ccc(CN4CCO[C@@H](c5ccccc5)C4)cn3)cc2)cc1
InChIInChI=1S/C28H27N3O/c1-3-7-23(8-4-1)24-12-14-26(15-13-24)30-28-16-11-22(19-29-28)20-31-17-18-32-27(21-31)25-9-5-2-6-10-25/h1-16,19,27H,17-18,20-21H2,(H,29,30)/t27-/m1/s1
InChIKeyXDIHBXHIHGKJEY-HHHXNRCGSA-N
XLogP6.07
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
CID 24955167
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]hydrazine
CID 62244989
1-(4-benzylmorpholin-2-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 174500358
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine
CID 175251032
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
(2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine
CID 160875718
N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
CID 86670013

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine?
The IUPAC name of 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine (CID 44573577) is 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine?
The canonical SMILES for 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine is c1ccc(-c2ccc(Nc3ccc(CN4CCO[C@@H](c5ccccc5)C4)cn3)cc2)cc1.
What is the InChIKey of 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine?
The InChIKey is XDIHBXHIHGKJEY-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H27N3O/c1-3-7-23(8-4-1)24-12-14-26(15-13-24)30-28-16-11-22(19-29-28)20-31-17-18-32-27(21-31)25-9-5-2-6-10-25/h1-16,19,27H,17-18,20-21H2,(H,29,30)/t27-/m1/s1.
What are the key properties of 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine?
5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine has a molecular weight of 421.54 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine is sourced from PubChem (CID 44573577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).