[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane

C11H17FN2O2 — CID 158668291

IUPAC[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
SMILESC.NC(=O)OCCC(N)c1ccccc1F
InChIInChI=1S/C10H13FN2O2.CH4/c11-8-4-2-1-3-7(8)9(12)5-6-15-10(13)14;/h1-4,9H,5-6,12H2,(H2,13,14);1H4
InChIKeyIDQCBIAJEXEQRH-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.95
Rot. Bonds4

About [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane

[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane (PubChem CID 158668291) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane.

Molecular Properties

Compound Name[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
PubChem CID158668291
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
SMILESC.NC(=O)OCCC(N)c1ccccc1F
InChIInChI=1S/C10H13FN2O2.CH4/c11-8-4-2-1-3-7(8)9(12)5-6-15-10(13)14;/h1-4,9H,5-6,12H2,(H2,13,14);1H4
InChIKeyIDQCBIAJEXEQRH-UHFFFAOYSA-N
XLogP1.95
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane 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

5-amino-5-(2-fluorophenyl)pentan-2-one
CID 116940768
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate
CID 175407135
(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate
CID 174774354
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
1-(2-fluorophenyl)propan-1-amine
CID 18439474
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
2-fluoro-2-(2-fluorophenyl)acetamide
CID 115013813

Frequently Asked Questions

What is the IUPAC name of [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane?
The IUPAC name of [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane (CID 158668291) is [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane.
What is the SMILES notation for [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane?
The canonical SMILES for [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane is C.NC(=O)OCCC(N)c1ccccc1F.
What is the InChIKey of [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane?
The InChIKey is IDQCBIAJEXEQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2.CH4/c11-8-4-2-1-3-7(8)9(12)5-6-15-10(13)14;/h1-4,9H,5-6,12H2,(H2,13,14);1H4.
What are the key properties of [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane?
[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane has a molecular weight of 228.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-3-(2-fluorophenyl)propyl] carbamate;methane is sourced from PubChem (CID 158668291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).