4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide

C30H28N2O — CID 142367448

IUPAC4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C30H28N2O/c31-30(32)24-13-11-23(12-14-24)29-27(22-9-5-2-6-10-22)17-15-25-19-26(16-18-28(25)29)33-20-21-7-3-1-4-8-21/h1-14,16,18-19,27,29H,15,17,20H2,(H3,31,32)/t27-,29?/m1/s1
InChIKeyKCHIDEGOXJYNRF-SCBLGKRXSA-N
MW432.57 g/mol
LogP6.41
Rot. Bonds6

About 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide

4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide (PubChem CID 142367448) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide
PubChem CID142367448
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC Name4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C30H28N2O/c31-30(32)24-13-11-23(12-14-24)29-27(22-9-5-2-6-10-22)17-15-25-19-26(16-18-28(25)29)33-20-21-7-3-1-4-8-21/h1-14,16,18-19,27,29H,15,17,20H2,(H3,31,32)/t27-,29?/m1/s1
InChIKeyKCHIDEGOXJYNRF-SCBLGKRXSA-N
XLogP6.41
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate
CID 146587686
5-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentane-1,3-diol
CID 134580274
[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol
CID 134579644
tert-butyl 2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetate
CID 167478416
[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 142367521
methyl 4-oxo-5-[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentanoate
CID 134579575
bromomethane;chloromethane;ethane;1-[4-(4-methylpentoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 142368175
2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol
CID 134580068
tert-butyl 4-[2-[4-[(1S,2R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]butanoate
CID 160912532
5-[4-[(1R,2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 134580043
fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane
CID 142368158
[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 164923584

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide?
The IUPAC name of 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide (CID 142367448) is 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide?
The canonical SMILES for 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide?
The InChIKey is KCHIDEGOXJYNRF-SCBLGKRXSA-N. The full InChI is InChI=1S/C30H28N2O/c31-30(32)24-13-11-23(12-14-24)29-27(22-9-5-2-6-10-22)17-15-25-19-26(16-18-28(25)29)33-20-21-7-3-1-4-8-21/h1-14,16,18-19,27,29H,15,17,20H2,(H3,31,32)/t27-,29?/m1/s1.
What are the key properties of 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide?
4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide has a molecular weight of 432.57 g/mol, XLogP of 6.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide is sourced from PubChem (CID 142367448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).