N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine

C20H27NO2 — CID 155988340

IUPACN-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ccccc1Oc1ccccc1)C(C)C
InChIInChI=1S/C20H27NO2/c1-16(2)21(17(3)4)14-15-22-19-12-8-9-13-20(19)23-18-10-6-5-7-11-18/h5-13,16-17H,14-15H2,1-4H3
InChIKeyGFHNBJZPSFXHEG-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.98
Rot. Bonds8

About N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine

N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 155988340) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID155988340
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ccccc1Oc1ccccc1)C(C)C
InChIInChI=1S/C20H27NO2/c1-16(2)21(17(3)4)14-15-22-19-12-8-9-13-20(19)23-18-10-6-5-7-11-18/h5-13,16-17H,14-15H2,1-4H3
InChIKeyGFHNBJZPSFXHEG-UHFFFAOYSA-N
XLogP4.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 70501198
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263
2-(2-phenoxyphenoxy)ethanamine
CID 18769450
1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride
CID 138398535
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide
CID 10277257
N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine
CID 155988342
pentyl 2-[2-[di(propan-2-yl)amino]ethoxy]benzoate
CID 20563394
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
(Z)-3-[2-[3-[di(propan-2-yl)amino]propoxy]phenoxy]-4-phenylbut-3-en-2-one
CID 6435724
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine (CID 155988340) is N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOc1ccccc1Oc1ccccc1)C(C)C.
What is the InChIKey of N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is GFHNBJZPSFXHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-16(2)21(17(3)4)14-15-22-19-12-8-9-13-20(19)23-18-10-6-5-7-11-18/h5-13,16-17H,14-15H2,1-4H3.
What are the key properties of N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 313.44 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 155988340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).