(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine

C9H11ClFN — CID 129393023

IUPAC(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine
SMILESNC[C@@H](F)Cc1ccccc1Cl
InChIInChI=1S/C9H11ClFN/c10-9-4-2-1-3-7(9)5-8(11)6-12/h1-4,8H,5-6,12H2/t8-/m0/s1
InChIKeyQJDHTWMYKGQCRK-QMMMGPOBSA-N
MW187.65 g/mol
LogP2.18
Rot. Bonds3

About (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine

(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine (PubChem CID 129393023) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine
PubChem CID129393023
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine
SMILESNC[C@@H](F)Cc1ccccc1Cl
InChIInChI=1S/C9H11ClFN/c10-9-4-2-1-3-7(9)5-8(11)6-12/h1-4,8H,5-6,12H2/t8-/m0/s1
InChIKeyQJDHTWMYKGQCRK-QMMMGPOBSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
(2R)-2-fluoro-3-phenylpropan-1-amine
CID 69274217
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine
CID 82088060
1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312429
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide
CID 90691212
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine?
The IUPAC name of (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine (CID 129393023) is (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine.
What is the SMILES notation for (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine?
The canonical SMILES for (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine is NC[C@@H](F)Cc1ccccc1Cl.
What is the InChIKey of (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine?
The InChIKey is QJDHTWMYKGQCRK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11ClFN/c10-9-4-2-1-3-7(9)5-8(11)6-12/h1-4,8H,5-6,12H2/t8-/m0/s1.
What are the key properties of (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine?
(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine has a molecular weight of 187.65 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine is sourced from PubChem (CID 129393023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).