1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol

C21H30N2O — CID 2196857

IUPAC1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol
SMILESCCCCC(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H30N2O/c1-6-7-16-21(24,17-8-12-19(13-9-17)22(2)3)18-10-14-20(15-11-18)23(4)5/h8-15,24H,6-7,16H2,1-5H3
InChIKeySFSAUTWTKUGUFI-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.24
Rot. Bonds7

About 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol

1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol (PubChem CID 2196857) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol.

Molecular Properties

Compound Name1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol
PubChem CID2196857
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol
SMILESCCCCC(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H30N2O/c1-6-7-16-21(24,17-8-12-19(13-9-17)22(2)3)18-10-14-20(15-11-18)23(4)5/h8-15,24H,6-7,16H2,1-5H3
InChIKeySFSAUTWTKUGUFI-UHFFFAOYSA-N
XLogP4.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol?
The IUPAC name of 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol (CID 2196857) is 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol.
What is the SMILES notation for 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol?
The canonical SMILES for 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol is CCCCC(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol?
The InChIKey is SFSAUTWTKUGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-6-7-16-21(24,17-8-12-19(13-9-17)22(2)3)18-10-14-20(15-11-18)23(4)5/h8-15,24H,6-7,16H2,1-5H3.
What are the key properties of 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol?
1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol has a molecular weight of 326.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol is sourced from PubChem (CID 2196857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).