1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine

C17H19ClFN — CID 103047860

IUPAC1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
SMILESCCCC(N)(Cc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-10-17(20,14-6-4-3-5-7-14)12-13-11-15(18)8-9-16(13)19/h3-9,11H,2,10,12,20H2,1H3
InChIKeyPNDTZNJITGPSED-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.68
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine

1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine (PubChem CID 103047860) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
PubChem CID103047860
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
SMILESCCCC(N)(Cc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-10-17(20,14-6-4-3-5-7-14)12-13-11-15(18)8-9-16(13)19/h3-9,11H,2,10,12,20H2,1H3
InChIKeyPNDTZNJITGPSED-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 114853480
1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine
CID 63408200
1-(5-chloro-2-fluorophenyl)-2-phenylpropan-2-amine
CID 103047839
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
CID 63408457
3-[(5-chloro-2-fluorophenyl)methyl]heptan-3-amine
CID 103050992
3-phenylhexan-3-amine
CID 60794511
2-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentanoic acid
CID 103047305
2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol
CID 106506364
2-amino-2-phenylpentan-1-ol
CID 61056433
1-(4-iodophenyl)-2-phenylpentan-2-amine
CID 65476853
1-(5-bromo-2-fluorophenyl)-2-phenylpropan-2-amine
CID 55096060
1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine
CID 105373090

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine (CID 103047860) is 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine is CCCC(N)(Cc1cc(Cl)ccc1F)c1ccccc1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine?
The InChIKey is PNDTZNJITGPSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-10-17(20,14-6-4-3-5-7-14)12-13-11-15(18)8-9-16(13)19/h3-9,11H,2,10,12,20H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine?
1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine is sourced from PubChem (CID 103047860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).