2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol

C21H30NOP — CID 71039669

IUPAC2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol
SMILESCCC(CC)(Pc1ccc(C)cc1CN(C)C)c1ccccc1O
InChIInChI=1S/C21H30NOP/c1-6-21(7-2,18-10-8-9-11-19(18)23)24-20-13-12-16(3)14-17(20)15-22(4)5/h8-14,23-24H,6-7,15H2,1-5H3
InChIKeyFGUXOESXDDJLFN-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.78
Rot. Bonds7

About 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol

2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol (PubChem CID 71039669) has the molecular formula C21H30NOP and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol.

Molecular Properties

Compound Name2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol
PubChem CID71039669
Molecular FormulaC21H30NOP
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol
SMILESCCC(CC)(Pc1ccc(C)cc1CN(C)C)c1ccccc1O
InChIInChI=1S/C21H30NOP/c1-6-21(7-2,18-10-8-9-11-19(18)23)24-20-13-12-16(3)14-17(20)15-22(4)5/h8-14,23-24H,6-7,15H2,1-5H3
InChIKeyFGUXOESXDDJLFN-UHFFFAOYSA-N
XLogP4.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol
CID 71040212
4-tert-butyl-2-[3-[2-[(dimethylamino)methyl]-4-fluorophenyl]phosphanyloctan-3-yl]-6-methylphenol
CID 71191462
1-[2-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]octan-3-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 89356456
2-methyl-6-[3-[4-methyl-2-(1-sulfanylethyl)phenyl]phosphanylpentan-3-yl]phenol
CID 89214335
1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 71191834
1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine
CID 89214187
2-[3-[2-(anilinomethyl)-4-methylphenyl]phosphanyloctan-3-yl]-4,6-ditert-butylphenol
CID 89356307
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol
CID 70807474
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772
1-[2-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 89214597
2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol
CID 71191673

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol?
The IUPAC name of 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol (CID 71039669) is 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol.
What is the SMILES notation for 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol?
The canonical SMILES for 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol is CCC(CC)(Pc1ccc(C)cc1CN(C)C)c1ccccc1O.
What is the InChIKey of 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol?
The InChIKey is FGUXOESXDDJLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30NOP/c1-6-21(7-2,18-10-8-9-11-19(18)23)24-20-13-12-16(3)14-17(20)15-22(4)5/h8-14,23-24H,6-7,15H2,1-5H3.
What are the key properties of 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol?
2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol has a molecular weight of 343.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol is sourced from PubChem (CID 71039669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).