[(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate

C13H19FN2O3 — CID 175183675

IUPAC[(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate
SMILESC[C@@H](N)CCOc1ccc(F)cc1[C@@H](C)OC(N)=O
InChIInChI=1S/C13H19FN2O3/c1-8(15)5-6-18-12-4-3-10(14)7-11(12)9(2)19-13(16)17/h3-4,7-9H,5-6,15H2,1-2H3,(H2,16,17)/t8-,9-/m1/s1
InChIKeyLSTKCVRUPPYBBR-RKDXNWHRSA-N
MW270.30 g/mol
LogP2.10
Rot. Bonds6

About [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate

[(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate (PubChem CID 175183675) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate
PubChem CID175183675
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name[(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate
SMILESC[C@@H](N)CCOc1ccc(F)cc1[C@@H](C)OC(N)=O
InChIInChI=1S/C13H19FN2O3/c1-8(15)5-6-18-12-4-3-10(14)7-11(12)9(2)19-13(16)17/h3-4,7-9H,5-6,15H2,1-2H3,(H2,16,17)/t8-,9-/m1/s1
InChIKeyLSTKCVRUPPYBBR-RKDXNWHRSA-N
XLogP2.10
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
CID 83944184
5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
CID 83944051
2-amino-4-(2,4-difluorophenoxy)butanamide
CID 63038942
3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171868483
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
CID 120561554
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
CID 83944144
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 120561553
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate?
The IUPAC name of [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate (CID 175183675) is [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate.
What is the SMILES notation for [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate?
The canonical SMILES for [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate is C[C@@H](N)CCOc1ccc(F)cc1[C@@H](C)OC(N)=O.
What is the InChIKey of [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate?
The InChIKey is LSTKCVRUPPYBBR-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-8(15)5-6-18-12-4-3-10(14)7-11(12)9(2)19-13(16)17/h3-4,7-9H,5-6,15H2,1-2H3,(H2,16,17)/t8-,9-/m1/s1.
What are the key properties of [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate?
[(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate has a molecular weight of 270.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate is sourced from PubChem (CID 175183675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).