2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol

C25H47N3O — CID 30981664

IUPAC2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol
SMILESCN(C)CCCN(CCCN(C)C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C25H47N3O/c1-24(2,3)21-17-20(23(29)22(18-21)25(4,5)6)19-28(15-11-13-26(7)8)16-12-14-27(9)10/h17-18,29H,11-16,19H2,1-10H3
InChIKeyOZONTOQRNWPNED-UHFFFAOYSA-N
MW405.67 g/mol
LogP4.69
Rot. Bonds10

About 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol

2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol (PubChem CID 30981664) has the molecular formula C25H47N3O and a molecular weight of 405.67 g/mol. Its IUPAC name is 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol
PubChem CID30981664
Molecular FormulaC25H47N3O
Molecular Weight405.67 g/mol
Exact Mass405.37
IUPAC Name2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol
SMILESCN(C)CCCN(CCCN(C)C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C25H47N3O/c1-24(2,3)21-17-20(23(29)22(18-21)25(4,5)6)19-28(15-11-13-26(7)8)16-12-14-27(9)10/h17-18,29H,11-16,19H2,1-10H3
InChIKeyOZONTOQRNWPNED-UHFFFAOYSA-N
XLogP4.69
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.67
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]methyl]-4,6-ditert-butylphenol;propan-2-ol;zirconium
CID 5241995
disodium;2-[carboxylatomethyl-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]acetate
CID 102146107
2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-hydroxyphenyl)methyl-[3-[ethoxy(dihydroxy)silyl]propyl]amino]methyl]phenol;hydrate
CID 139211955
4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 177498883
CID 172523914
CID 172523914
2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]phenol
CID 102048603
4-tert-butyl-2-[[(5-tert-butyl-2-hydroxy-3-methylphenyl)methyl-(4-hydroxybutyl)amino]methyl]-6-methylphenol
CID 102157123
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]but-2-enoic acid
CID 174910765
1-N,3-N-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]propanedihydrazide
CID 139030894
4-tert-butyl-2-[[(5-tert-butyl-2-hydroxy-3-methylphenyl)methyl-(5-hydroxypentyl)amino]methyl]-6-methylphenol
CID 102157126
2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-hydroxyphenyl)methyl-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]methyl]phenol
CID 139171103

Frequently Asked Questions

What is the IUPAC name of 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol (CID 30981664) is 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol is CN(C)CCCN(CCCN(C)C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol?
The InChIKey is OZONTOQRNWPNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N3O/c1-24(2,3)21-17-20(23(29)22(18-21)25(4,5)6)19-28(15-11-13-26(7)8)16-12-14-27(9)10/h17-18,29H,11-16,19H2,1-10H3.
What are the key properties of 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol?
2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol has a molecular weight of 405.67 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol is sourced from PubChem (CID 30981664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).