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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Related Compounds

C.I. 42555:1
CID 68050
Tris(p-aminophenyl)methanol
CID 10084
4,4'-Bis(dimethylamino)benzhydrol
CID 92742
Malachite Green carbinol
CID 10521
4-[Bis[4-(dimethylamino)phenyl]methyl]phenol
CID 221110
4-Dimethylaminobenzyl alcohol
CID 137166
Benzenemethanol, 4-(dimethylamino)-alpha,alpha-diphenyl-
CID 614765
2-OH-isoproturon
CID 85718060
Butyl (4-(dimethylamino)phenyl)((4-(dimethylamino)phenyl)(hydroxy)methyl)phosphinate
CID 3716818
2-(4-(Benzyl(ethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11574384
2-(4-(Benzyl(2,2,2-trifluoroethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11582802
2-(4-(Ethyl(phenethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11639715

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).