(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine

C11H15ClFN — CID 130700654

IUPAC(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyWOOFYEHXLXGWCE-JTQLQIEISA-N
MW215.70 g/mol
LogP3.53
Rot. Bonds1

About (1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine

(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 130700654) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID130700654
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyWOOFYEHXLXGWCE-JTQLQIEISA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
CID 131224816
1-(5-chloro-2-fluorophenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934508
(3R)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247074
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779
1-(5-chloro-2-fluorophenyl)-2-methylsulfanylethanamine
CID 116830315
(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246807
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130974244
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 130700654) is (1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1cc(Cl)ccc1F.
What is the InChIKey of (1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is WOOFYEHXLXGWCE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15ClFN/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,14H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine?
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.53, 1 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)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130700654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).