[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate

C13H18FN3O2 — CID 175168258

IUPAC[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate
SMILESC[C@@H](N)c1cc(F)ccc1N1CCC1COC(N)=O
InChIInChI=1S/C13H18FN3O2/c1-8(15)11-6-9(14)2-3-12(11)17-5-4-10(17)7-19-13(16)18/h2-3,6,8,10H,4-5,7,15H2,1H3,(H2,16,18)/t8-,10?/m1/s1
InChIKeyANSDVKKBCSLEAA-HNHGDDPOSA-N
MW267.30 g/mol
LogP1.52
Rot. Bonds4

About [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate

[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate (PubChem CID 175168258) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate
PubChem CID175168258
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate
SMILESC[C@@H](N)c1cc(F)ccc1N1CCC1COC(N)=O
InChIInChI=1S/C13H18FN3O2/c1-8(15)11-6-9(14)2-3-12(11)17-5-4-10(17)7-19-13(16)18/h2-3,6,8,10H,4-5,7,15H2,1H3,(H2,16,18)/t8-,10?/m1/s1
InChIKeyANSDVKKBCSLEAA-HNHGDDPOSA-N
XLogP1.52
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate 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

[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate
CID 175174279
tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate
CID 162353304
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluorophenyl]ethanamine
CID 102726753
1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 62124442
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-fluorophenyl]ethanamine
CID 65320484
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 55190676
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
3-[1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076409
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate?
The IUPAC name of [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate (CID 175168258) is [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate.
What is the SMILES notation for [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate?
The canonical SMILES for [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate is C[C@@H](N)c1cc(F)ccc1N1CCC1COC(N)=O.
What is the InChIKey of [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate?
The InChIKey is ANSDVKKBCSLEAA-HNHGDDPOSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8(15)11-6-9(14)2-3-12(11)17-5-4-10(17)7-19-13(16)18/h2-3,6,8,10H,4-5,7,15H2,1H3,(H2,16,18)/t8-,10?/m1/s1.
What are the key properties of [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate?
[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate has a molecular weight of 267.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate is sourced from PubChem (CID 175168258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).