(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine

C17H20FN — CID 165410235

IUPAC(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C[C@@H](CN)c1ccc(F)cc1C
InChIInChI=1S/C17H20FN/c1-12-5-3-4-6-14(12)10-15(11-19)17-8-7-16(18)9-13(17)2/h3-9,15H,10-11,19H2,1-2H3/t15-/m0/s1
InChIKeyXARSPZVLRADOTK-HNNXBMFYSA-N
MW257.35 g/mol
LogP3.73
Rot. Bonds4

About (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine

(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 165410235) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
PubChem CID165410235
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C[C@@H](CN)c1ccc(F)cc1C
InChIInChI=1S/C17H20FN/c1-12-5-3-4-6-14(12)10-15(11-19)17-8-7-16(18)9-13(17)2/h3-9,15H,10-11,19H2,1-2H3/t15-/m0/s1
InChIKeyXARSPZVLRADOTK-HNNXBMFYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62135312
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine (CID 165410235) is (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1C[C@@H](CN)c1ccc(F)cc1C.
What is the InChIKey of (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is XARSPZVLRADOTK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-5-3-4-6-14(12)10-15(11-19)17-8-7-16(18)9-13(17)2/h3-9,15H,10-11,19H2,1-2H3/t15-/m0/s1.
What are the key properties of (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine?
(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 165410235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).