N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine

C21H37NO2 — CID 3085515

IUPACN,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
SMILESCc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCCN(C)C
InChIInChI=1S/C21H37NO2/c1-17-15-18(21(5,6)16-20(2,3)4)9-10-19(17)24-14-13-23-12-11-22(7)8/h9-10,15H,11-14,16H2,1-8H3
InChIKeyRJVBKWPFEURYNE-UHFFFAOYSA-N
MW335.53 g/mol
LogP4.67
Rot. Bonds9

About N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine

N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine (PubChem CID 3085515) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
PubChem CID3085515
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC NameN,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
SMILESCc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCCN(C)C
InChIInChI=1S/C21H37NO2/c1-17-15-18(21(5,6)16-20(2,3)4)9-10-19(17)24-14-13-23-12-11-22(7)8/h9-10,15H,11-14,16H2,1-8H3
InChIKeyRJVBKWPFEURYNE-UHFFFAOYSA-N
XLogP4.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
2-methyl-1-octoxy-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 20589144
N,N-dimethyl-2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propoxy]ethanamine
CID 177328633
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243319
2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
CID 118595331
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
sodium;boranuide;1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243325
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2298053
3-(4-iodo-2-methylphenoxy)-N,N-dimethylpropan-1-amine;hydrochloride
CID 6457208
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2297274
N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2183688

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine (CID 3085515) is N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine is Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine?
The InChIKey is RJVBKWPFEURYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2/c1-17-15-18(21(5,6)16-20(2,3)4)9-10-19(17)24-14-13-23-12-11-22(7)8/h9-10,15H,11-14,16H2,1-8H3.
What are the key properties of N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine?
N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine has a molecular weight of 335.53 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine is sourced from PubChem (CID 3085515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).