[3-(dimethylamino)-1,1-diphenylpropyl] formate

C18H21NO2 — CID 54028396

IUPAC[3-(dimethylamino)-1,1-diphenylpropyl] formate
SMILESCN(C)CCC(OC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-19(2)14-13-18(21-15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyRCCNOMZZIIULSU-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.05
Rot. Bonds7

About [3-(dimethylamino)-1,1-diphenylpropyl] formate

[3-(dimethylamino)-1,1-diphenylpropyl] formate (PubChem CID 54028396) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [3-(dimethylamino)-1,1-diphenylpropyl] formate.

Molecular Properties

Compound Name[3-(dimethylamino)-1,1-diphenylpropyl] formate
PubChem CID54028396
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[3-(dimethylamino)-1,1-diphenylpropyl] formate
SMILESCN(C)CCC(OC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-19(2)14-13-18(21-15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyRCCNOMZZIIULSU-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-cyano-1,1-diphenylpropyl) formate
CID 173340031
5-(dimethylamino)-2,2-diphenylpentanal
CID 88611833
1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate
CID 19753165
3-ethyl-N,N-dimethyl-3-phenylpent-4-en-1-amine
CID 132503899
CID 19591298
CID 19591298
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
CID 54599725
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
[6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate
CID 547389
1,1-diphenyloctyl 2-formyloxy-2,2-diphenylacetate
CID 54062050
N,N-dimethyl-2-phenylethanamine;ethyl formate
CID 158758698
tert-butylbenzene;methyl formate
CID 174802474
phenyl 4-(dimethylamino)-2,2-dimethylbutanoate
CID 174861843

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-1,1-diphenylpropyl] formate?
The IUPAC name of [3-(dimethylamino)-1,1-diphenylpropyl] formate (CID 54028396) is [3-(dimethylamino)-1,1-diphenylpropyl] formate.
What is the SMILES notation for [3-(dimethylamino)-1,1-diphenylpropyl] formate?
The canonical SMILES for [3-(dimethylamino)-1,1-diphenylpropyl] formate is CN(C)CCC(OC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-(dimethylamino)-1,1-diphenylpropyl] formate?
The InChIKey is RCCNOMZZIIULSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19(2)14-13-18(21-15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of [3-(dimethylamino)-1,1-diphenylpropyl] formate?
[3-(dimethylamino)-1,1-diphenylpropyl] formate has a molecular weight of 283.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-1,1-diphenylpropyl] formate is sourced from PubChem (CID 54028396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).