1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one

C16H15ClFNO — CID 103052423

IUPAC1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one
SMILESNCc1ccccc1CC(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO/c17-14-5-6-16(18)13(7-14)9-15(20)8-11-3-1-2-4-12(11)10-19/h1-7H,8-10,19H2
InChIKeyWCSBORGHJJKZCA-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.29
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one

1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one (PubChem CID 103052423) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one
PubChem CID103052423
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one
SMILESNCc1ccccc1CC(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO/c17-14-5-6-16(18)13(7-14)9-15(20)8-11-3-1-2-4-12(11)10-19/h1-7H,8-10,19H2
InChIKeyWCSBORGHJJKZCA-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
CID 116595869
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CID 116595878
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one
CID 161028075
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
CID 116595920
4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one
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(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645
[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 62828462
4-amino-2-[(5-chloro-2-fluorophenyl)methyl]butanoic acid
CID 103052246
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]acetamide
CID 75431880

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one (CID 103052423) is 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one is NCc1ccccc1CC(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one?
The InChIKey is WCSBORGHJJKZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-14-5-6-16(18)13(7-14)9-15(20)8-11-3-1-2-4-12(11)10-19/h1-7H,8-10,19H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one?
1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one has a molecular weight of 291.75 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one is sourced from PubChem (CID 103052423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).