N,N-dimethyl-1,3-diphenoxypropan-2-amine

C17H21NO2 — CID 141461197

IUPACN,N-dimethyl-1,3-diphenoxypropan-2-amine
SMILESCN(C)C(COc1ccccc1)COc1ccccc1
InChIInChI=1S/C17H21NO2/c1-18(2)15(13-19-16-9-5-3-6-10-16)14-20-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyJFMJHMCGFMKLIZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.07
Rot. Bonds7

About N,N-dimethyl-1,3-diphenoxypropan-2-amine

N,N-dimethyl-1,3-diphenoxypropan-2-amine (PubChem CID 141461197) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-dimethyl-1,3-diphenoxypropan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,3-diphenoxypropan-2-amine
PubChem CID141461197
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN,N-dimethyl-1,3-diphenoxypropan-2-amine
SMILESCN(C)C(COc1ccccc1)COc1ccccc1
InChIInChI=1S/C17H21NO2/c1-18(2)15(13-19-16-9-5-3-6-10-16)14-20-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyJFMJHMCGFMKLIZ-UHFFFAOYSA-N
XLogP3.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-methyl-1-phenoxybutan-2-amine
CID 143240290
(2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine
CID 125479389
CID 142401703
CID 142401703
3-phenoxypropane-1,2-diol
CID 158587241
ethane;1-phenoxypropan-2-ol
CID 90926921
3-phenoxypropane-1,2-diol
CID 10857
3-methyl-2-(phenoxymethyl)butan-1-ol
CID 15214280
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
actinium;3-phenoxypropane-1,2-diol
CID 22981458
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
2,3-difluorobutoxybenzene
CID 53412752

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,3-diphenoxypropan-2-amine?
The IUPAC name of N,N-dimethyl-1,3-diphenoxypropan-2-amine (CID 141461197) is N,N-dimethyl-1,3-diphenoxypropan-2-amine.
What is the SMILES notation for N,N-dimethyl-1,3-diphenoxypropan-2-amine?
The canonical SMILES for N,N-dimethyl-1,3-diphenoxypropan-2-amine is CN(C)C(COc1ccccc1)COc1ccccc1.
What is the InChIKey of N,N-dimethyl-1,3-diphenoxypropan-2-amine?
The InChIKey is JFMJHMCGFMKLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(2)15(13-19-16-9-5-3-6-10-16)14-20-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-1,3-diphenoxypropan-2-amine?
N,N-dimethyl-1,3-diphenoxypropan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,3-diphenoxypropan-2-amine is sourced from PubChem (CID 141461197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).