(1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride

C11H15ClF3N — CID 171209909

IUPAC(1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1cc(F)c(F)cc1F.Cl
InChIInChI=1S/C11H14F3N.ClH/c1-2-3-4-11(15)7-5-9(13)10(14)6-8(7)12;/h5-6,11H,2-4,15H2,1H3;1H/t11-;/m1./s1
InChIKeyLUGBHBSOIYLBTL-RFVHGSKJSA-N
MW253.69 g/mol
LogP3.72
Rot. Bonds4

About (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride

(1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride (PubChem CID 171209909) has the molecular formula C11H15ClF3N and a molecular weight of 253.69 g/mol. Its IUPAC name is (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride
PubChem CID171209909
Molecular FormulaC11H15ClF3N
Molecular Weight253.69 g/mol
Exact Mass253.08
IUPAC Name(1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1cc(F)c(F)cc1F.Cl
InChIInChI=1S/C11H14F3N.ClH/c1-2-3-4-11(15)7-5-9(13)10(14)6-8(7)12;/h5-6,11H,2-4,15H2,1H3;1H/t11-;/m1./s1
InChIKeyLUGBHBSOIYLBTL-RFVHGSKJSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)decan-1-amine
CID 79723933
1-(2,5-difluoro-4-methylphenyl)heptan-1-amine
CID 114752602
1-(2,4,5-trifluorophenyl)pentan-1-ol
CID 19885905
(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(1R)-1-(2,3,4-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171205782
3-(1-aminopentyl)-4-fluoroaniline
CID 55269027
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
butoxycarbonyl 4-amino-4-(2,4,5-trifluorophenyl)butanoate
CID 174728586
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171161591
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171160160

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride (CID 171209909) is (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1cc(F)c(F)cc1F.Cl.
What is the InChIKey of (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride?
The InChIKey is LUGBHBSOIYLBTL-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H14F3N.ClH/c1-2-3-4-11(15)7-5-9(13)10(14)6-8(7)12;/h5-6,11H,2-4,15H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride?
(1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride has a molecular weight of 253.69 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171209909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).