1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone

C16H15ClFNO — CID 103052370

IUPAC1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
SMILESNCCc1ccc(C(=O)Cc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H15ClFNO/c17-14-5-6-15(18)13(9-14)10-16(20)12-3-1-11(2-4-12)7-8-19/h1-6,9H,7-8,10,19H2
InChIKeyQFNJBCVMDJJMNS-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone

1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone (PubChem CID 103052370) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
PubChem CID103052370
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
SMILESNCCc1ccc(C(=O)Cc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H15ClFNO/c17-14-5-6-15(18)13(9-14)10-16(20)12-3-1-11(2-4-12)7-8-19/h1-6,9H,7-8,10,19H2
InChIKeyQFNJBCVMDJJMNS-UHFFFAOYSA-N
XLogP3.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116577590
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788
1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone
CID 116577619
1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052464
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052274
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
1-[4-(2-aminoethyl)phenyl]-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272613
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
4-[(5-chloro-2-fluorophenyl)methyl]benzoic acid
CID 116927200
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone (CID 103052370) is 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone is NCCc1ccc(C(=O)Cc2cc(Cl)ccc2F)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone?
The InChIKey is QFNJBCVMDJJMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-14-5-6-15(18)13(9-14)10-16(20)12-3-1-11(2-4-12)7-8-19/h1-6,9H,7-8,10,19H2.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone?
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone has a molecular weight of 291.75 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 103052370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).