(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine

C13H17ClF3NO — CID 171208200

IUPAC(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine
SMILESCCCCC[C@@H](N)c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C13H17ClF3NO/c1-2-3-4-5-11(18)9-6-7-12(10(14)8-9)19-13(15,16)17/h6-8,11H,2-5,18H2,1H3/t11-/m1/s1
InChIKeyOHCQLFXQOXOEGH-LLVKDONJSA-N
MW295.73 g/mol
LogP4.82
Rot. Bonds6

About (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine

(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine (PubChem CID 171208200) has the molecular formula C13H17ClF3NO and a molecular weight of 295.73 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine
PubChem CID171208200
Molecular FormulaC13H17ClF3NO
Molecular Weight295.73 g/mol
Exact Mass295.10
IUPAC Name(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine
SMILESCCCCC[C@@H](N)c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C13H17ClF3NO/c1-2-3-4-5-11(18)9-6-7-12(10(14)8-9)19-13(15,16)17/h6-8,11H,2-5,18H2,1H3/t11-/m1/s1
InChIKeyOHCQLFXQOXOEGH-LLVKDONJSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine
CID 171227782
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171208195
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-2-ol;hydrochloride
CID 171263537
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 171227894
(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227788
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171170981
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171263517
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
CID 115854116
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242411
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine?
The IUPAC name of (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine (CID 171208200) is (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine?
The canonical SMILES for (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine is CCCCC[C@@H](N)c1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine?
The InChIKey is OHCQLFXQOXOEGH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClF3NO/c1-2-3-4-5-11(18)9-6-7-12(10(14)8-9)19-13(15,16)17/h6-8,11H,2-5,18H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine?
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine has a molecular weight of 295.73 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine is sourced from PubChem (CID 171208200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).