[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate

C19H22F2N2O3 — CID 68819436

IUPAC[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate
SMILESCN[C@@H](CCOc1ccc(F)c(F)c1)c1ccc(OC(=O)N(C)C)cc1
InChIInChI=1S/C19H22F2N2O3/c1-22-18(10-11-25-15-8-9-16(20)17(21)12-15)13-4-6-14(7-5-13)26-19(24)23(2)3/h4-9,12,18,22H,10-11H2,1-3H3/t18-/m0/s1
InChIKeyDFJAOUBXWMJCGQ-SFHVURJKSA-N
MW364.39 g/mol
LogP3.75
Rot. Bonds7

About [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate

[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate (PubChem CID 68819436) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate
PubChem CID68819436
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate
SMILESCN[C@@H](CCOc1ccc(F)c(F)c1)c1ccc(OC(=O)N(C)C)cc1
InChIInChI=1S/C19H22F2N2O3/c1-22-18(10-11-25-15-8-9-16(20)17(21)12-15)13-4-6-14(7-5-13)26-19(24)23(2)3/h4-9,12,18,22H,10-11H2,1-3H3/t18-/m0/s1
InChIKeyDFJAOUBXWMJCGQ-SFHVURJKSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(1R)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68822128
[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68819435
[4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate
CID 25050115
[4-[(1R)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68818703
[4-[(1R)-1-(methylamino)-3-(4-methylphenyl)sulfanylpropyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 139959807
[4-[3-(N-acetyl-3-fluoroanilino)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate
CID 139959789
[4-[1-(dimethylamino)-3-(2,3,4-trifluorophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68872755
[2-methyl-4-[(1R)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68818934
ethyl 4-(3,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63035662
[1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid
CID 68821193
[3-[3-(4-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 90820092
5-(3,4-difluorophenoxy)-3-hydroxypentanoic acid
CID 112508599

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate (CID 68819436) is [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate is CN[C@@H](CCOc1ccc(F)c(F)c1)c1ccc(OC(=O)N(C)C)cc1.
What is the InChIKey of [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is DFJAOUBXWMJCGQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-22-18(10-11-25-15-8-9-16(20)17(21)12-15)13-4-6-14(7-5-13)26-19(24)23(2)3/h4-9,12,18,22H,10-11H2,1-3H3/t18-/m0/s1.
What are the key properties of [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate?
[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 364.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 68819436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).