(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride

C10H15ClFN — CID 171213137

IUPAC(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
SMILESCc1ccc([C@H](N)CF)c(C)c1.Cl
InChIInChI=1S/C10H14FN.ClH/c1-7-3-4-9(8(2)5-7)10(12)6-11;/h3-5,10H,6,12H2,1-2H3;1H/t10-;/m1./s1
InChIKeySWEXPWMPDJBFOB-HNCPQSOCSA-N
MW203.69 g/mol
LogP2.69
Rot. Bonds2

About (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride

(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171213137) has the molecular formula C10H15ClFN and a molecular weight of 203.69 g/mol. Its IUPAC name is (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
PubChem CID171213137
Molecular FormulaC10H15ClFN
Molecular Weight203.69 g/mol
Exact Mass203.09
IUPAC Name(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
SMILESCc1ccc([C@H](N)CF)c(C)c1.Cl
InChIInChI=1S/C10H14FN.ClH/c1-7-3-4-9(8(2)5-7)10(12)6-11;/h3-5,10H,6,12H2,1-2H3;1H/t10-;/m1./s1
InChIKeySWEXPWMPDJBFOB-HNCPQSOCSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171221659
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105145357
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855010
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride (CID 171213137) is (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride is Cc1ccc([C@H](N)CF)c(C)c1.Cl.
What is the InChIKey of (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is SWEXPWMPDJBFOB-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14FN.ClH/c1-7-3-4-9(8(2)5-7)10(12)6-11;/h3-5,10H,6,12H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride?
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 203.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171213137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).