(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine

C12H16Cl2FN — CID 171215609

IUPAC(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2FN/c1-7(2)3-6-10(16)11-9(15)5-4-8(13)12(11)14/h4-5,7,10H,3,6,16H2,1-2H3/t10-/m1/s1
InChIKeyVSUZBPJWODVRDF-SNVBAGLBSA-N
MW264.17 g/mol
LogP4.57
Rot. Bonds4

About (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine

(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine (PubChem CID 171215609) has the molecular formula C12H16Cl2FN and a molecular weight of 264.17 g/mol. Its IUPAC name is (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine
PubChem CID171215609
Molecular FormulaC12H16Cl2FN
Molecular Weight264.17 g/mol
Exact Mass263.06
IUPAC Name(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2FN/c1-7(2)3-6-10(16)11-9(15)5-4-8(13)12(11)14/h4-5,7,10H,3,6,16H2,1-2H3/t10-/m1/s1
InChIKeyVSUZBPJWODVRDF-SNVBAGLBSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine 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

(1S)-4-methyl-1-(2,3,6-trichlorophenyl)pentan-1-amine;hydrochloride
CID 171232410
(1R)-1-(2,3-dichloro-6-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171215588
(1R,2S)-1-amino-1-(2,3-dichloro-6-fluorophenyl)-5-methylhexan-2-ol
CID 171265859
(1S)-1-(2,3-dichloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171235224
(1S)-1-(3,6-dichloro-2-fluorophenyl)-4-methylpentan-1-amine
CID 171235289
(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 130709750
(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride
CID 171215578
(1R)-1-(2,3-dichloro-6-fluorophenyl)-3-methylbut-3-en-1-amine
CID 131465907
(1R)-1-(2,3-dichloro-6-fluorophenyl)but-3-en-1-amine
CID 130701468
(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
CID 171205160
1-(2,6-dichlorophenyl)-4-methylpentan-1-amine
CID 112704553
(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine (CID 171215609) is (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine is CC(C)CC[C@@H](N)c1c(F)ccc(Cl)c1Cl.
What is the InChIKey of (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine?
The InChIKey is VSUZBPJWODVRDF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16Cl2FN/c1-7(2)3-6-10(16)11-9(15)5-4-8(13)12(11)14/h4-5,7,10H,3,6,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine?
(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine has a molecular weight of 264.17 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 171215609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).