(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride

C9H13ClFN — CID 170910887

IUPAC(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
SMILESC[C@@H](CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C9H12FN.ClH/c1-7(6-11)8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H/t7-;/m0./s1
InChIKeyXKALCTGXXBGGKP-FJXQXJEOSA-N
MW189.66 g/mol
LogP2.31
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride

(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride (PubChem CID 170910887) has the molecular formula C9H13ClFN and a molecular weight of 189.66 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
PubChem CID170910887
Molecular FormulaC9H13ClFN
Molecular Weight189.66 g/mol
Exact Mass189.07
IUPAC Name(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
SMILESC[C@@H](CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C9H12FN.ClH/c1-7(6-11)8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H/t7-;/m0./s1
InChIKeyXKALCTGXXBGGKP-FJXQXJEOSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.66
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11829648
2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine
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CID 81010865
(2S)-2-(4-bromophenyl)propan-1-amine
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(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
4-(4-fluorophenyl)-2-methylpentan-2-amine
CID 83907847
2-(4-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 55015264
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
1-(4-bromopentan-2-yl)-4-fluorobenzene
CID 64721249
1-fluoro-4-pent-4-yn-2-ylbenzene
CID 83930939
tris[2-(4-fluorophenyl)propyl]alumane;hydrate
CID 141059383

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride?
The IUPAC name of (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride (CID 170910887) is (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride is C[C@@H](CN)c1ccc(F)cc1.Cl.
What is the InChIKey of (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride?
The InChIKey is XKALCTGXXBGGKP-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H12FN.ClH/c1-7(6-11)8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride?
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride has a molecular weight of 189.66 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 170910887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).