3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol

C23H25NO — CID 3060408

IUPAC3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol
SMILESCC(CNCc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO/c1-19(17-24-18-20-11-5-2-6-12-20)23(25,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,24-25H,17-18H2,1H3
InChIKeyFMRUBXQQSIIGPL-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.35
Rot. Bonds7

About 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol

3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol (PubChem CID 3060408) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol
PubChem CID3060408
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol
SMILESCC(CNCc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO/c1-19(17-24-18-20-11-5-2-6-12-20)23(25,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,24-25H,17-18H2,1H3
InChIKeyFMRUBXQQSIIGPL-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol (CID 3060408) is 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol is CC(CNCc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol?
The InChIKey is FMRUBXQQSIIGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-19(17-24-18-20-11-5-2-6-12-20)23(25,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,24-25H,17-18H2,1H3.
What are the key properties of 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol?
3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol has a molecular weight of 331.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-2-methyl-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 3060408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).