(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine

C10H12ClF2N — CID 130706083

IUPAC(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H12ClF2N/c1-5(2)10(14)6-3-9(13)7(11)4-8(6)12/h3-5,10H,14H2,1-2H3/t10-/m1/s1
InChIKeyBGLDRKUVVQRZMR-SNVBAGLBSA-N
MW219.66 g/mol
LogP3.27
Rot. Bonds2

About (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine

(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine (PubChem CID 130706083) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine
PubChem CID130706083
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H12ClF2N/c1-5(2)10(14)6-3-9(13)7(11)4-8(6)12/h3-5,10H,14H2,1-2H3/t10-/m1/s1
InChIKeyBGLDRKUVVQRZMR-SNVBAGLBSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.27
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

2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol
CID 130699208
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789
(1S)-1-(4-chloro-2-fluoro-5-methylphenyl)ethanamine
CID 55255941
1-(4-chloro-2,5-difluorophenyl)hex-4-yn-1-amine
CID 105037120
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017296
(1R)-1-(4-chloro-2,5-difluorophenyl)but-3-en-1-amine
CID 130691292
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514
1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene
CID 107477429
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 131118070

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine (CID 130706083) is (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine is CC(C)[C@@H](N)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine?
The InChIKey is BGLDRKUVVQRZMR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-5(2)10(14)6-3-9(13)7(11)4-8(6)12/h3-5,10H,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine?
(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine has a molecular weight of 219.66 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130706083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).