2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine

C15H15ClFNO — CID 112566367

IUPAC2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine
SMILESCOc1cc(C(F)(CN)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-19-14-9-12(7-8-13(14)16)15(17,10-18)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3
InChIKeyFCQFEJHOOJBZPY-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine

2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine (PubChem CID 112566367) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine
PubChem CID112566367
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine
SMILESCOc1cc(C(F)(CN)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-19-14-9-12(7-8-13(14)16)15(17,10-18)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3
InChIKeyFCQFEJHOOJBZPY-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
CID 79711700
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
CID 115918107
3-(4-chloro-3-methoxyphenyl)-3,3-difluoropropanal
CID 142387180
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
CID 115918108
2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine
CID 114834072
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
4-(4-chloro-3-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal
CID 174466804
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
CID 116809834
2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
CID 107621841
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine?
The IUPAC name of 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine (CID 112566367) is 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine.
What is the SMILES notation for 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine?
The canonical SMILES for 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine is COc1cc(C(F)(CN)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine?
The InChIKey is FCQFEJHOOJBZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-19-14-9-12(7-8-13(14)16)15(17,10-18)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3.
What are the key properties of 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine?
2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine is sourced from PubChem (CID 112566367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).