(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine

C8H12FN3 — CID 66516155

IUPAC(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1c(N)cccc1F
InChIInChI=1S/C8H12FN3/c9-5-2-1-3-6(11)8(5)7(12)4-10/h1-3,7H,4,10-12H2/t7-/m1/s1
InChIKeyQBJGXEFYYXYKST-SSDOTTSWSA-N
MW169.20 g/mol
LogP0.37
Rot. Bonds2

About (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine

(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine (PubChem CID 66516155) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
PubChem CID66516155
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1c(N)cccc1F
InChIInChI=1S/C8H12FN3/c9-5-2-1-3-6(11)8(5)7(12)4-10/h1-3,7H,4,10-12H2/t7-/m1/s1
InChIKeyQBJGXEFYYXYKST-SSDOTTSWSA-N
XLogP0.37
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
2-[(1S)-1-aminopropyl]-3-fluoroaniline
CID 55295307
1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine
CID 55274919
(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine
CID 131173127
2-(1,2-diaminoethyl)-3-fluorobenzoic acid
CID 55273283
1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine
CID 170894788
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
CID 130715208
1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine
CID 77130849
1-amino-1-(2-amino-6-fluorophenyl)propan-2-one
CID 55293837
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol
CID 171859699

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine (CID 66516155) is (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine is NC[C@@H](N)c1c(N)cccc1F.
What is the InChIKey of (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine?
The InChIKey is QBJGXEFYYXYKST-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12FN3/c9-5-2-1-3-6(11)8(5)7(12)4-10/h1-3,7H,4,10-12H2/t7-/m1/s1.
What are the key properties of (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine?
(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine has a molecular weight of 169.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 66516155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).