N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine

C25H27N — CID 139191179

IUPACN-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine
SMILESCC(C)(C)/C(=N/[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N/c1-25(2,3)24(22-17-11-6-12-18-22)26-23(21-15-9-5-10-16-21)19-20-13-7-4-8-14-20/h4-18,23H,19H2,1-3H3/b26-24+/t23-/m1/s1
InChIKeyRWDGNTPZFYOMRA-LIZHXUNESA-N
MW341.50 g/mol
LogP6.51
Rot. Bonds5

About N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine

N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine (PubChem CID 139191179) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine
PubChem CID139191179
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC NameN-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine
SMILESCC(C)(C)/C(=N/[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N/c1-25(2,3)24(22-17-11-6-12-18-22)26-23(21-15-9-5-10-16-21)19-20-13-7-4-8-14-20/h4-18,23H,19H2,1-3H3/b26-24+/t23-/m1/s1
InChIKeyRWDGNTPZFYOMRA-LIZHXUNESA-N
XLogP6.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.51
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

N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine
CID 71819222
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
(1R)-1,2-diphenylethanol
CID 1379022
N-[1-(furan-2-yl)-2-phenylethyl]-1,1-diphenylmethanimine
CID 10641688
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine (CID 139191179) is N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine is CC(C)(C)/C(=N/[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine?
The InChIKey is RWDGNTPZFYOMRA-LIZHXUNESA-N. The full InChI is InChI=1S/C25H27N/c1-25(2,3)24(22-17-11-6-12-18-22)26-23(21-15-9-5-10-16-21)19-20-13-7-4-8-14-20/h4-18,23H,19H2,1-3H3/b26-24+/t23-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine?
N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine has a molecular weight of 341.50 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine is sourced from PubChem (CID 139191179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).