(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine

C12H17ClFN — CID 171202085

IUPAC(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFN/c1-2-3-4-5-12(15)10-8-9(13)6-7-11(10)14/h6-8,12H,2-5,15H2,1H3/t12-/m1/s1
InChIKeyXPPOLZBOARRWSE-GFCCVEGCSA-N
MW229.73 g/mol
LogP4.06
Rot. Bonds5

About (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine

(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine (PubChem CID 171202085) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
PubChem CID171202085
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFN/c1-2-3-4-5-12(15)10-8-9(13)6-7-11(10)14/h6-8,12H,2-5,15H2,1H3/t12-/m1/s1
InChIKeyXPPOLZBOARRWSE-GFCCVEGCSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
3-(1-aminopentyl)-4-fluoroaniline
CID 55269027
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
1-(2,4-difluoro-5-methylphenyl)decan-1-amine
CID 79723933
2-(1-aminopentyl)-4-chlorophenol
CID 155888158
1-(2,5-difluoro-4-methylphenyl)heptan-1-amine
CID 114752602
(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine
CID 171205955
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine?
The IUPAC name of (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine (CID 171202085) is (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine is CCCCC[C@@H](N)c1cc(Cl)ccc1F.
What is the InChIKey of (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine?
The InChIKey is XPPOLZBOARRWSE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-2-3-4-5-12(15)10-8-9(13)6-7-11(10)14/h6-8,12H,2-5,15H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine?
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine has a molecular weight of 229.73 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine is sourced from PubChem (CID 171202085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).