3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol

C11H16ClFN2O — CID 65377412

IUPAC3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1c(F)cccc1Cl
InChIInChI=1S/C11H16ClFN2O/c12-8-3-1-4-9(13)11(8)10(7-14)15-5-2-6-16/h1,3-4,10,15-16H,2,5-7,14H2
InChIKeyKETQTUFMJAXHSD-UHFFFAOYSA-N
MW246.71 g/mol
LogP1.45
Rot. Bonds6

About 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol

3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol (PubChem CID 65377412) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol
PubChem CID65377412
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1c(F)cccc1Cl
InChIInChI=1S/C11H16ClFN2O/c12-8-3-1-4-9(13)11(8)10(7-14)15-5-2-6-16/h1,3-4,10,15-16H,2,5-7,14H2
InChIKeyKETQTUFMJAXHSD-UHFFFAOYSA-N
XLogP1.45
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol 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-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
CID 107317087
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
1-(2-chloro-6-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616201
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
1-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65384020
3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol
CID 113484777
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054534
(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
CID 171200181
3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol
CID 65378664
2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054951
N-(4-bromo-3,5-dimethylphenyl)-1-(2-chloro-6-fluorophenyl)ethane-1,2-diamine
CID 107573239

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol (CID 65377412) is 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol is NCC(NCCCO)c1c(F)cccc1Cl.
What is the InChIKey of 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol?
The InChIKey is KETQTUFMJAXHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O/c12-8-3-1-4-9(13)11(8)10(7-14)15-5-2-6-16/h1,3-4,10,15-16H,2,5-7,14H2.
What are the key properties of 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol?
3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol has a molecular weight of 246.71 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 65377412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).