2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine

C16H18FN — CID 112566318

IUPAC2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
SMILESCc1cccc(C(F)(CN)c2ccccc2)c1C
InChIInChI=1S/C16H18FN/c1-12-7-6-10-15(13(12)2)16(17,11-18)14-8-4-3-5-9-14/h3-10H,11,18H2,1-2H3
InChIKeyKSNZNSCBLPNNFH-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.48
Rot. Bonds3

About 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine

2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine (PubChem CID 112566318) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
PubChem CID112566318
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
SMILESCc1cccc(C(F)(CN)c2ccccc2)c1C
InChIInChI=1S/C16H18FN/c1-12-7-6-10-15(13(12)2)16(17,11-18)14-8-4-3-5-9-14/h3-10H,11,18H2,1-2H3
InChIKeyKSNZNSCBLPNNFH-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride
CID 122164073
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
CID 115918107
2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine
CID 112566344
3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 112566259
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
CID 114747716
2-(2,5-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 112566313
1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene
CID 167265242
2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
2-(2,6-dimethylphenyl)-2,2-difluoroethanamine
CID 91927221
2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
CID 115918108

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine?
The IUPAC name of 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine (CID 112566318) is 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine is Cc1cccc(C(F)(CN)c2ccccc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine?
The InChIKey is KSNZNSCBLPNNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-12-7-6-10-15(13(12)2)16(17,11-18)14-8-4-3-5-9-14/h3-10H,11,18H2,1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine?
2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine has a molecular weight of 243.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine is sourced from PubChem (CID 112566318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).