4-[3-(3,3-diphenylpropylamino)butyl]phenol

C25H29NO — CID 2846656

IUPAC4-[3-(3,3-diphenylpropylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-20(12-13-21-14-16-24(27)17-15-21)26-19-18-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,14-17,20,25-27H,12-13,18-19H2,1H3
InChIKeyPYSQGUGELWTMPU-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.53
Rot. Bonds9

About 4-[3-(3,3-diphenylpropylamino)butyl]phenol

4-[3-(3,3-diphenylpropylamino)butyl]phenol (PubChem CID 2846656) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-[3-(3,3-diphenylpropylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(3,3-diphenylpropylamino)butyl]phenol
PubChem CID2846656
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name4-[3-(3,3-diphenylpropylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-20(12-13-21-14-16-24(27)17-15-21)26-19-18-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,14-17,20,25-27H,12-13,18-19H2,1H3
InChIKeyPYSQGUGELWTMPU-UHFFFAOYSA-N
XLogP5.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,3-diphenylpropylamino)butyl]phenol?
The IUPAC name of 4-[3-(3,3-diphenylpropylamino)butyl]phenol (CID 2846656) is 4-[3-(3,3-diphenylpropylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(3,3-diphenylpropylamino)butyl]phenol?
The canonical SMILES for 4-[3-(3,3-diphenylpropylamino)butyl]phenol is CC(CCc1ccc(O)cc1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[3-(3,3-diphenylpropylamino)butyl]phenol?
The InChIKey is PYSQGUGELWTMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-20(12-13-21-14-16-24(27)17-15-21)26-19-18-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,14-17,20,25-27H,12-13,18-19H2,1H3.
What are the key properties of 4-[3-(3,3-diphenylpropylamino)butyl]phenol?
4-[3-(3,3-diphenylpropylamino)butyl]phenol has a molecular weight of 359.51 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,3-diphenylpropylamino)butyl]phenol is sourced from PubChem (CID 2846656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).