[5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine

C31H32N2O2 — CID 85391771

IUPAC[5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
SMILESCC1(C)OC(C(N)(c2ccccc2)c2ccccc2)C(C(N)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H32N2O2/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,32-33H2,1-2H3
InChIKeyJIQBNMKKMIJMGK-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.31
Rot. Bonds6

About [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine

[5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine (PubChem CID 85391771) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine.

Molecular Properties

Compound Name[5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
PubChem CID85391771
Molecular FormulaC31H32N2O2
Molecular Weight464.61 g/mol
Exact Mass464.25
IUPAC Name[5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
SMILESCC1(C)OC(C(N)(c2ccccc2)c2ccccc2)C(C(N)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H32N2O2/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,32-33H2,1-2H3
InChIKeyJIQBNMKKMIJMGK-UHFFFAOYSA-N
XLogP5.31
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
The IUPAC name of [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine (CID 85391771) is [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine.
What is the SMILES notation for [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
The canonical SMILES for [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine is CC1(C)OC(C(N)(c2ccccc2)c2ccccc2)C(C(N)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
The InChIKey is JIQBNMKKMIJMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O2/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,32-33H2,1-2H3.
What are the key properties of [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
[5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine has a molecular weight of 464.61 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine is sourced from PubChem (CID 85391771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).