1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine

C15H15ClFN — CID 114275421

IUPAC1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine
SMILESCC(c1ccccc1)C(N)c1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFN/c1-10(11-6-3-2-4-7-11)15(18)14-12(16)8-5-9-13(14)17/h2-10,15H,18H2,1H3
InChIKeySFMMQVDKOYVDCK-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine

1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine (PubChem CID 114275421) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine
PubChem CID114275421
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine
SMILESCC(c1ccccc1)C(N)c1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFN/c1-10(11-6-3-2-4-7-11)15(18)14-12(16)8-5-9-13(14)17/h2-10,15H,18H2,1H3
InChIKeySFMMQVDKOYVDCK-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 131299540
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 114275177
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine
CID 130512104
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-6-fluorophenyl]ethanamine
CID 103288688

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine (CID 114275421) is 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine is CC(c1ccccc1)C(N)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine?
The InChIKey is SFMMQVDKOYVDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10(11-6-3-2-4-7-11)15(18)14-12(16)8-5-9-13(14)17/h2-10,15H,18H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine?
1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine has a molecular weight of 263.74 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 114275421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).