(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride

C10H15ClFNS — CID 171212727

IUPAC(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
SMILESCSc1ccc([C@H](N)CCF)cc1.Cl
InChIInChI=1S/C10H14FNS.ClH/c1-13-9-4-2-8(3-5-9)10(12)6-7-11;/h2-5,10H,6-7,12H2,1H3;1H/t10-;/m1./s1
InChIKeyCPACLKFQSDSGLY-HNCPQSOCSA-N
MW235.75 g/mol
LogP3.19
Rot. Bonds4

About (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride

(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride (PubChem CID 171212727) has the molecular formula C10H15ClFNS and a molecular weight of 235.75 g/mol. Its IUPAC name is (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
PubChem CID171212727
Molecular FormulaC10H15ClFNS
Molecular Weight235.75 g/mol
Exact Mass235.06
IUPAC Name(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
SMILESCSc1ccc([C@H](N)CCF)cc1.Cl
InChIInChI=1S/C10H14FNS.ClH/c1-13-9-4-2-8(3-5-9)10(12)6-7-11;/h2-5,10H,6-7,12H2,1H3;1H/t10-;/m1./s1
InChIKeyCPACLKFQSDSGLY-HNCPQSOCSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride
CID 86262911
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551
5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
CID 105028980
(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
CID 55270386
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-amine
CID 112693648
N'-methyl-1-(4-methylsulfanylphenyl)butane-1,4-diamine
CID 116933901
(1R)-3-fluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
CID 171208436
(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198397
1-(4-methylsulfanylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820927
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
CID 53484788
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
CID 171212740
4-[(1S)-1-amino-3-fluoropropyl]benzonitrile;hydrochloride
CID 171217694

Frequently Asked Questions

What is the IUPAC name of (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride (CID 171212727) is (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride is CSc1ccc([C@H](N)CCF)cc1.Cl.
What is the InChIKey of (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride?
The InChIKey is CPACLKFQSDSGLY-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14FNS.ClH/c1-13-9-4-2-8(3-5-9)10(12)6-7-11;/h2-5,10H,6-7,12H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride?
(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171212727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).