(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine

C12H18FN — CID 55278415

IUPAC(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine
SMILESCc1cc([C@H](N)C(C)C)cc(C)c1F
InChIInChI=1S/C12H18FN/c1-7(2)12(14)10-5-8(3)11(13)9(4)6-10/h5-7,12H,14H2,1-4H3/t12-/m1/s1
InChIKeyQKKOGLGPQYLOSS-GFCCVEGCSA-N
MW195.28 g/mol
LogP3.10
Rot. Bonds2

About (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine

(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine (PubChem CID 55278415) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine
PubChem CID55278415
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine
SMILESCc1cc([C@H](N)C(C)C)cc(C)c1F
InChIInChI=1S/C12H18FN/c1-7(2)12(14)10-5-8(3)11(13)9(4)6-10/h5-7,12H,14H2,1-4H3/t12-/m1/s1
InChIKeyQKKOGLGPQYLOSS-GFCCVEGCSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 65299571
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CID 55274065
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
5-(1-amino-2-methylpropyl)benzene-1,2,3-triol
CID 55270365
(3-chloro-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81323717
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 107001276
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanol
CID 65297282
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-dimethylphenol
CID 131404150
5-(1-amino-2-methylpropyl)-2-fluoroaniline
CID 55283419

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine (CID 55278415) is (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine is Cc1cc([C@H](N)C(C)C)cc(C)c1F.
What is the InChIKey of (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine?
The InChIKey is QKKOGLGPQYLOSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18FN/c1-7(2)12(14)10-5-8(3)11(13)9(4)6-10/h5-7,12H,14H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine?
(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 55278415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).