1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine

C27H31N — CID 171500783

IUPAC1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine
SMILESCC/N=C/c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C27H31N/c1-6-28-20-21-17-24(26(2,3)22-13-9-7-10-14-22)19-25(18-21)27(4,5)23-15-11-8-12-16-23/h7-20H,6H2,1-5H3/b28-20+
InChIKeyXSPVKHWBXWIBND-VFCFBJKWSA-N
MW369.55 g/mol
LogP6.78
Rot. Bonds6

About 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine

1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine (PubChem CID 171500783) has the molecular formula C27H31N and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine.

Molecular Properties

Compound Name1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine
PubChem CID171500783
Molecular FormulaC27H31N
Molecular Weight369.55 g/mol
Exact Mass369.25
IUPAC Name1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine
SMILESCC/N=C/c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C27H31N/c1-6-28-20-21-17-24(26(2,3)22-13-9-7-10-14-22)19-25(18-21)27(4,5)23-15-11-8-12-16-23/h7-20H,6H2,1-5H3/b28-20+
InChIKeyXSPVKHWBXWIBND-VFCFBJKWSA-N
XLogP6.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylpropan-2-ylbenzene
CID 13065
3,5-bis(2-phenylpropan-2-yl)aniline
CID 142144538
2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol
CID 171500786
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894
anthracene;benzene;ethane;octakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
CID 161240969
ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine
CID 142544034
N-(2-methyl-2-phenylbutyl)formamide
CID 149429107
2-(benzylideneamino)-N-tritylethanamine
CID 101473643
ethane;3-methylpentan-3-ylbenzene
CID 90745317
CID 171375456
CID 171375456
1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
CID 173279363

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine?
The IUPAC name of 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine (CID 171500783) is 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine.
What is the SMILES notation for 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine?
The canonical SMILES for 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine is CC/N=C/c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine?
The InChIKey is XSPVKHWBXWIBND-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H31N/c1-6-28-20-21-17-24(26(2,3)22-13-9-7-10-14-22)19-25(18-21)27(4,5)23-15-11-8-12-16-23/h7-20H,6H2,1-5H3/b28-20+.
What are the key properties of 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine?
1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine has a molecular weight of 369.55 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-N-ethylmethanimine is sourced from PubChem (CID 171500783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).